SCHEMBL2674802

SCHEMBL2674802

c1ccc2[nH]c(C3CCC3)nc2c1

nearest known ligand 0.90

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
NPY5R Q15761 1/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 1/20 0.52

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
SCHEMBL6756134 0.96 NPC1 (0.59) HTR2BNPC1RAB9AKDM4EMAPT
SCHEMBL724921 0.95 NPC1 (0.62) HTR2BNPC1RAB9AKDM4EMAPT
SCHEMBL6757201 0.95 NPC1 (0.62) HTR2BNPC1RAB9AKDM4EMAPT
SCHEMBL2276872 0.92 ALDH1A1 (0.59) HTR2BNPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL31596380 0.91 MAPT (0.57) HTR2BNPC1RAB9AKDM4EMAPT
SCHEMBL3213543 0.86 KDM4E (0.46) HTR2BNPC1RAB9AKDM4EMAPT
SCHEMBL6756130 0.86 NPC1 (0.47) HTR2BNPC1RAB9AKDM4ENPY5R
SCHEMBL14192852 0.86 KDM4E (0.46) HTR2BNPC1RAB9AKDM4EMAPT
SCHEMBL4429138 0.86 KDM4E (0.46) HTR2BNPC1RAB9AKDM4EMAPT
SCHEMBL2491336 0.86 HTR2B (0.52) HTR2BMAPTNPY5RPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162926-A Copper surface antioxidant composition and preparation method thereof 深圳市正天伟科技有限公司 2023-05-26 CN disclosed
EP-2919781-B1 CYCLOBUTYL BENZIMIDAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-9284302-B2 Cyclobutyl benzimidazoles as PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-15 US disclosed
US-9284302-B2 Cyclobutyl benzimidazoles as PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-15 US disclosed
US-9284302-B2 Cyclobutyl benzimidazoles as PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-15 US disclosed
US-20150307479-A1 CYCLOBUTYL BENZIMIDAZOLES AS PDE 10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 US disclosed
US-20150307479-A1 CYCLOBUTYL BENZIMIDAZOLES AS PDE 10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 US disclosed
EP-2919781-A1 CYCLOBUTYL BENZIMIDAZOLES AS PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
EP-2919781-A1 CYCLOBUTYL BENZIMIDAZOLES AS PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-07-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 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 (4 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-20150307479-A1 CYCLOBUTYL BENZIMIDAZOLES AS PDE 10 INHIBITORS PDE10A, PDE12, PDE4A HTR2B 47/4885NPC1 4097/4885RAB9A 639/4885
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 HTR2B 3530/4885NPC1 2672/4885RAB9A 1216/4885
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 HTR2B 3435/4885NPC1 1303/4885RAB9A 1758/4885
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 HTR2B 3530/4885NPC1 2672/4885RAB9A 1216/4885

“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.