SCHEMBL3330972

SCHEMBL3330972

c1ccc2[nH]c(C3CCCN3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM1 P11229 2/20 0.40
PARP1 P09874 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
AOC3 Q16853 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL5382942 0.95 METTL3 (0.43) NR1H4PARP1METTL3METTL14CHRNB2
SCHEMBL7385487 0.79 PARP1 (0.41) PARP1AOC3MAOB
SCHEMBL3640169 0.75 AOC3 (0.44) AOC3
SCHEMBL1465455 0.75 CYP2A6 (0.42) PARP1METTL3METTL14CHRNB2CHRNA7
SCHEMBL73543 0.74 AOC3 (0.47) CHRNA7AOC3MAOB
SCHEMBL2467564 0.74 HTR2A (0.49) PARP1
SCHEMBL10441226 0.74 AOC3 (0.42) AOC3
SCHEMBL28595175 0.73 CYP19A1 (0.41)
SCHEMBL1237690 0.72 MAOB (0.49) AOC3MAOB
SCHEMBL29688552 0.72 MAOB (0.49) AOC3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US claimed
EP-1451177-B1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE GRUENENTHAL GMBH (DE) 2007-03-21 EP claimed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US claimed
US-20240124404-A1 COMPOSITION FOR TREATING DISEASES RELATED TO ADVANCED GLYCATION END PRODUCTS COMPRISING INDOLE DERIVATIVE METACEN THERAPEUTICS (KR) 2024-04-18 US disclosed
EP-4353227-A1 COMPOSITION INCLUDING INDOLE DERIVATIVE FOR PREVENTION OF ADVANCED GLYCATION END PRODUCT-RELATED DISEASE Metacen Therapeutics (KR) 2024-04-17 EP disclosed
WO-2022260492-A1 COMPOSITION INCLUDING INDOLE DERIVATIVE FOR PREVENTION OF ADVANCED GLYCATION END PRODUCT-RELATED DISEASE 주식회사 메타센테라퓨틱스 2022-12-15 WO disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US disclosed
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US disclosed
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US disclosed
EP-1451177-B1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE GRUENENTHAL GMBH (DE) 2007-03-21 EP disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US disclosed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US disclosed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US disclosed
EP-1451177-A1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE Grünenthal GmbH (DE) 2004-09-01 EP disclosed
WO-2003048156-A1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE Grünenthal GmbH (DE) 2003-06-12 WO 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 (3 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 NR1H4 1961/4885CHRM5 54/4885CHRM3 88/4885
US-20240124404-A1 COMPOSITION FOR TREATING DISEASES RELATED TO ADVANCED GLYCATION END PRODUCTS COMPRISING INDOLE DERIVATIVE AGER, IDO1, IAPP NR1H4 4382/4885CHRM5 623/4885CHRM3 571/4885
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds IDO1, IDO2, TPH2 NR1H4 3805/4885CHRM5 675/4885CHRM3 622/4885

“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.