SCHEMBL407580

SCHEMBL407580

[c]1n[nH]cc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
TAAR1 Q96RJ0 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LTA4H P09960 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
LTB4R Q15722 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL19691465 0.77 HRH3 (0.44) HRH3DAORAB9ASMN1; SMN2
SCHEMBL4888604 0.67
SCHEMBL4931186 0.67
SCHEMBL818602 0.65 CALM1 (0.44) CALM1TAAR1HRH3TSHRLMNA
SCHEMBL207607 0.64 CALM1 (0.55) CALM1LTA4HTSHRALDH1A1HPGD
SCHEMBL1828221 0.64 CALM1 (0.42) CALM1TAAR1HRH3TSHRLMNA
SCHEMBL4927571 0.64
Diphenylmethane SCHEMBL1303 0.64 CALM1 (1.00) CALM1LTA4HTSHRLMNAALDH1A1
Diphenylmethane SCHEMBL14763944 0.64 CALM1 (1.00) CALM1LTA4HTSHRLMNAALDH1A1
Diphenylmethane SCHEMBL4361124 0.64 CALM1 (1.00) CALM1LTA4HTSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 US claimed
EP-3612522-A1 THERAPEUTIC COMPOUNDS Celgene Quanticel Research, Inc. (US) 2020-02-26 EP claimed
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 US claimed
WO-2018195155-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-10-25 WO claimed
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 US claimed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US claimed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US claimed
CN-104755478-B Serine/threonine kinase inhibitor 霍夫曼-拉罗奇有限公司 2017-10-10 CN claimed
WO-2017034377-A1 PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A ST CO., LTD. (KR) 2017-03-02 WO claimed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
US-20100094011-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES ROCHE CAROLINA INC. 2010-04-15 US claimed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 US claimed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US claimed
EP-1828179-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF Memory Pharmaceutical Corporation (US) 2007-09-05 EP claimed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 US claimed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 WO claimed
US-4310619-A LIGHT SENSITIVE ELEMENT COMPRISING A 5-PYRAZOLONE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-01-12 US claimed

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

For each of this compound's patents that has machine-readable text (8 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 CALM1 4406/4885TAAR1 4119/4885HRH3 1026/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 CALM1 4406/4885TAAR1 4119/4885HRH3 1026/4885
US-20180296543-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 CALM1 651/4885TAAR1 4044/4885HRH3 1357/4885
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B CALM1 1473/4885TAAR1 4200/4885HRH3 869/4885
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 CALM1 920/4885TAAR1 144/4885HRH3 372/4885
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA6 CALM1 920/4885TAAR1 144/4885HRH3 372/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 CALM1 651/4885TAAR1 4044/4885HRH3 1357/4885
US-20100094011-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES CHRNA7, CHRNA5, CHRNA1 CALM1 476/4885TAAR1 156/4885HRH3 751/4885

“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.