SCHEMBL96003

SCHEMBL96003

CC(c1ccccc1)N1CC[CH]CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.76
MC4R P32245 1/20 0.66
OPRM1 P35372 5/20 0.54
OPRK1 P41145 3/20 0.54
OPRL1 P41146 3/20 0.54
OPRD1 P41143 2/20 0.54
ALDH1A1 P00352 1/20 0.49
CHRM2 P08172 4/20 0.46
CHRM1 P11229 4/20 0.46
KCNH2 Q12809 5/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL28280920 0.88 CYP2D6 (0.64) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL16226061 0.87 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL6706135 0.87 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7264542 0.87 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL23850144 0.83 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7097730 0.83 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL31046801 0.83 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL8983562 0.83 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL8983627 0.83 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL30364156 0.83 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026110-B Fused tricyclic compounds as protein kinase inhibitors 国家公共部门基金会卡洛斯三世国家癌症研究中心(F.S.P.CNIO) 2022-02-08 CN claimed
US-9732061-B2 Cinnoline derivatives useful as CB-1 receptor inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US claimed
WO-2016115013-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 WO claimed
US-20160200719-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-14 US claimed
CN-1984655-A Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-06-20 CN claimed
EP-0063365-B2 1,4-Dihydropyridine derivative and pharmaceutical composition containing same KYOWA HAKKO KOGYO KK (JP) 1994-06-15 EP claimed
EP-0063365-B1 1,4-DIHYDROPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-09-04 EP claimed
CN-109526219-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-03-26 CN disclosed
US-9732061-B2 Cinnoline derivatives useful as CB-1 receptor inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
WO-2016115013-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 WO disclosed
US-20160200719-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-14 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-1140852-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARAMACEUTICAL USE AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035882-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2000-06-22 WO disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 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 (1 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-20160200719-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS CNR1, CNR2, GPR119 CYP2D6 1526/4885MC4R 298/4885OPRM1 160/4885

“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.