SCHEMBL793767

SCHEMBL793767

NCCc1ccc(Cl)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.69
PNMT P11086 1/20 0.69
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ADRA2A P08913 2/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
SLC6A2 P23975 2/20 0.47
MAPK1 P28482 2/20 0.47
DRD3 P35462 2/20 0.47
RECQL P46063 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 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
SCHEMBL6341558 0.88 TAAR1 (0.53) TAAR1PNMTSIGMAR1MAPTMAPK1
SCHEMBL295912 0.84 PNMT (0.48) TAAR1PNMTSIGMAR1MAPTMAPK1
Hydrochloric Acid SCHEMBL5958057 0.83 CSNK2A1 (0.47) TAAR1PNMTSIGMAR1MAPTMAPK1
SCHEMBL793707 0.83 TAAR1 (0.69) TAAR1PNMTSIGMAR1KDM4EADRA2A
SCHEMBL29042669 0.83 PNMT (0.47) TAAR1PNMTSIGMAR1MAPTMAPK1
SCHEMBL184185 0.82 TAAR1 (1.00) TAAR1PNMTSIGMAR1KDM4EADRA2A
SCHEMBL17552718 0.81 PNMT (0.45) TAAR1PNMTSIGMAR1MAPTMAPK1
SCHEMBL530150 0.81 PNMT (0.45) TAAR1PNMTSIGMAR1MAPTMAPK1
Hydrochloric Acid SCHEMBL3271461 0.81 TAAR1 (0.67) TAAR1PNMTSIGMAR1KDM4EADRA2A
SCHEMBL3978582 0.81 MAPT (0.47) TAAR1PNMTSIGMAR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
WO-2004096134-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed
CN-1307584-A Macrolide LHRH antagonists ABBOTT LAB (US) 2001-08-08 CN disclosed
EP-1066307-A1 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
EP-1066304-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
WO-2000012522-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-03-09 WO disclosed
US-6020521-A Macrolide LHRH antagonists ABBOTT LABORATORIES (US) 2000-02-01 US disclosed
US-5972898-A ERYTHROMYCIN A DERIVATIVES AS LUTENIZING HORMONE RELEASING HORMONE (LHRH) ANTAGONISTS, AND METHODS OF THEIR PREPARATION ABBOTT LABORATORIES (US) 1999-10-26 US disclosed
WO-1999050275-A2 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
WO-1999050276-A1 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
US-5955440-A 3'-N-DESMETHYL-3'-N-SUBSTITUTED-6-O-METHYL-11-DEOXY-11,12-CYCL IC CARBAMATE ERYTHROMYCIN A DERIVATIVES ABBOTT LABORATORIES (US) 1999-09-21 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 (1 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TAAR1 4576/4885PNMT 545/4885SIGMAR1 4102/4885

“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.