SCHEMBL2992516

SCHEMBL2992516

COC(=O)c1ccc2[nH]cc(CN(C)C)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.67
PDGFRB P09619 1/20 0.58
NPC1 O15118 1/20 0.55
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR7 P34969 2/20 0.48
HTR6 P50406 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR1D P28221 2/20 0.48
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
CDK2 P24941 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
Hydrochloric Acid SCHEMBL10564022 0.99 GPR84 (0.65) GPR84PDGFRBNPC1KMT2AMEN1
SCHEMBL5643316 0.89 NPC1 (0.70) GPR84PDGFRBNPC1KMT2AMEN1
SCHEMBL2999576 0.87 GPR84 (0.64) GPR84PDGFRBNPC1KMT2AMEN1
SCHEMBL28868186 0.87 KMT2A (0.65) GPR84NPC1KMT2ACYP2D6HTR7
SCHEMBL22554662 0.86 GPR84 (0.73) GPR84NPC1KMT2AMEN1KDM4E
SCHEMBL29871648 0.86 GPR84 (0.87) GPR84NPC1KMT2AMEN1KDM4E
SCHEMBL2161423 0.85 GPR84 (0.76) GPR84NPC1KMT2AMEN1KDM4E
SCHEMBL11358148 0.83 HTR1A (0.66) GPR84KMT2AMEN1KDM4EALDH1A1
SCHEMBL2161735 0.83 GPR84 (0.70) GPR84NPC1KMT2AMEN1KDM4E
SCHEMBL3974212 0.82 NPC1 (0.80) GPR84NPC1KMT2AMEN1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 US disclosed
US-4824852-A Substituted indole compounds which have useful effects on the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-25 US disclosed
US-4740602-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-26 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GPR84 2925/4885PDGFRB 1521/4885NPC1 4214/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GPR84 2925/4885PDGFRB 1521/4885NPC1 4214/4885

“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.