SCHEMBL221818

SCHEMBL221818

CN1CCN(Cc2ccccc2)CC1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.58
SIGMAR1 Q99720 3/20 0.57
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
MCHR1 Q99705 1/20 0.51
PIK3CD O00329 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC2A1 P11166 1/20 0.48
APP P05067 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CCR3 P51677 1/20 0.47
GAA P10253 1/20 0.47
DRD4 P21917 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3401709 0.83 LMNA (0.60) MC4RSIGMAR1LMNAMCHR1PIK3CD
SCHEMBL12642576 0.83 PIK3CD (0.47) LMNAMCHR1PIK3CDMEN1KMT2A
SCHEMBL8916586 0.83 ALDH1A1 (0.60) LMNAPOLBMCHR1MEN1NPC1
SCHEMBL3053204 0.83 GAA (0.47) LMNAPOLBPIK3CDMEN1KMT2A
SCHEMBL24663832 0.81 PIK3CD (0.57) LMNAPOLBMCHR1PIK3CDALDH1A1
SCHEMBL10841960 0.81 APP (0.62) MC4RSIGMAR1LMNAPOLBMCHR1
SCHEMBL221817 0.81 SIGMAR1 (0.59) MC4RSIGMAR1LMNAPOLBMCHR1
SCHEMBL1101974 0.80 MC4R (0.53) MC4RSIGMAR1LMNAPOLBMCHR1
SCHEMBL930649 0.80 MCHR1 (0.56) MC4RSIGMAR1LMNAPOLBMCHR1
SCHEMBL16627096 0.80 COMT (0.52) PIK3CDMEN1KMT2AALDH1A1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4534897-A Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds THE UPJOHN COMPANY (US) 1985-08-13 US claimed
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
US-20180237394-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2018-08-23 US disclosed
WO-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 WO disclosed
US-9382265-B2 Oxazolidone compound, preparing method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-05 US disclosed
US-20150361091-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-17 US disclosed
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
EP-1910362-B9 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2013-02-20 EP disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-4593098-A Piperazinone and piperazine polypeptides THE UPJOHN COMPANY (US) 1986-06-03 US disclosed
US-4534897-A Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds THE UPJOHN COMPANY (US) 1985-08-13 US disclosed
US-4251438-A ANALGESICS, PSYCHOTHERAPEUTIC AGENTS THE UPJOHN COMPANY (US) 1981-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT MC4R 4124/4885SIGMAR1 4717/4885LMNA 1436/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT MC4R 4124/4885SIGMAR1 4717/4885LMNA 1436/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 MC4R 588/4885SIGMAR1 4122/4885LMNA 3283/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT MC4R 4124/4885SIGMAR1 4717/4885LMNA 1436/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 MC4R 487/4885SIGMAR1 4710/4885LMNA 3132/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 MC4R 546/4885SIGMAR1 4288/4885LMNA 2572/4885
US-20180237394-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT MC4R 4124/4885SIGMAR1 4717/4885LMNA 1436/4885
US-20150361091-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF CYP3A43, CYP2C9, F2 MC4R 407/4885SIGMAR1 443/4885LMNA 1739/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 MC4R 374/4885SIGMAR1 4768/4885LMNA 3473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.