SCHEMBL4311896

SCHEMBL4311896

c1ccc2c(C3CN4CCC3CC4)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.55
HTR2A P28223 3/20 0.55
HTR2B P41595 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ATM Q13315 1/20 0.55
NOS3 P29474 3/20 0.52
NOS1 P29475 3/20 0.52
CHRNA7 P36544 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NOS2 P35228 1/20 0.51
ADRB2 P07550 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
CYP2D6 P10635 1/20 0.48

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
SCHEMBL9448919 0.81 SLC6A4 (0.60) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL9448970 0.81 NOS3 (0.52) HTR2AKDM4EATMNOS3NOS1
SCHEMBL5013256 0.81 HTR1D (0.56) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL9449013 0.81 NOS3 (0.53) NOS3NOS1CYP3A4CYP2C19NOS2
SCHEMBL3546179 0.81 CYP3A4 (0.56) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL9448897 0.81 NOS3 (0.54) HTR2CKDM4EATMNOS3NOS1
Hydrochloric Acid SCHEMBL5014962 0.80 HTR1D (0.55) HTR2CHTR2AHTR2BNOS3NOS1
Hydrochloric Acid SCHEMBL9449059 0.80 CYP3A4 (0.55) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL9449028 0.78 NOS3 (0.52) HTR2AKDM4EATMNOS3NOS1
SCHEMBL9448835 0.78 NOS3 (0.55) NOS3NOS1CHRNA7CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450345-B1 Indole derivatives MERCK PATENT GMBH (DE) 1995-05-24 EP claimed
US-5227386-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-13 US claimed
JP-4235184-A None JP disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
EP-1513839-B1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE NEUROSEARCH AS (DK) 2006-07-26 EP disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 WO disclosed
US-5599937-A Heteroaromatic quinuclidinenes, their use and preparation PHARMACIA AB (SE) 1997-02-04 US disclosed
EP-0640082-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-03-01 EP disclosed
WO-1993023395-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION KABI PHARMACIA AB (SE) 1993-11-25 WO disclosed
US-5227386-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-13 US disclosed
US-5227386-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-13 US disclosed
JP-H04235184-A INDOLE DERIVATIVE MERCK PATENT GMBH 1992-08-24 JP 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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A HTR2C 6/4885HTR2A 11/4885HTR2B 19/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A HTR2C 8/4885HTR2A 12/4885HTR2B 18/4885

“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.