SCHEMBL9013201

SCHEMBL9013201

Cc1ccc2c(c1)N(C)C(C)(C)CC2C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SRD5A1 P18405 2/20 0.31

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
SCHEMBL12352218 0.88 KDM4E (0.52) DRD2DRD4KDM4EMAPTALDH1A1
SCHEMBL11786022 0.82 DRD2 (0.42) DRD2DRD4KDM4EMAPTALDH1A1
Bromide SCHEMBL6995843 0.81 OPRM1 (0.38) DRD2DRD4KDM4EMAPTCRHBP
SCHEMBL9777051 0.81 DRD2 (0.44) DRD2DRD4KDM4EMAPTALDH1A1
SCHEMBL9847654 0.80 DRD2 (0.47) DRD2DRD4KDM4EMAPTALDH1A1
SCHEMBL11787691 0.80 CNR2 (0.53) DRD2DRD4MAPTALDH1A1NPSR1
SCHEMBL8942319 0.80 DRD2 (0.46) DRD2DRD4KDM4EMAPTALDH1A1
SCHEMBL16682493 0.80 DRD2 (0.43) DRD2DRD4KDM4EMAPTALDH1A1
SCHEMBL11588357 0.80 DRD2 (0.46) DRD2DRD4KDM4EMAPTALDH1A1
SCHEMBL13740895 0.79 MAPT (0.42) DRD2DRD4KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
WO-2013170147-A1 COMPOUNDS USEFUL FOR PROMOTING PROTEIN DEGRADATION AND METHODS USING SAME YALE UNIVERSITY (US) 2013-11-14 WO disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
CN-100384944-C Tetrahydro quinoline functional dye containing thiophene bridge chain UNIV DALIAN SCIENCE & ENG (CN) 2008-04-30 CN disclosed
CN-1858117-A Tetrahydro quinoline functional dye containing thiophene bridge chain UNIV DALIAN SCIENCE & ENG (CN) 2006-11-08 CN disclosed
EP-0492444-B1 Novel synthesis of pyrazole dyes EASTMAN KODAK CO (US) 1996-11-27 EP disclosed
US-5144015-A Diazotization, salt formation, coupling, and alkylation to form 1-alkyl-3-alkyl or aryl-4-cyanopyrazol-5-yl azo dye EASTMAN KODAK COMPANY (US) 1992-09-01 US disclosed
EP-0492444-A1 Novel synthesis of pyrazole dyes EASTMAN KODAK COMPANY (US) 1992-07-01 EP disclosed
EP-0192328-B1 CHROMOGENIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-09 EP disclosed
US-4754022-A BLUE SHADES FOR POLYACRYLONITRILE FABRICS CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0192328-A1 Chromogenic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-27 EP disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 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-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX DRD2 3380/4885DRD4 2844/4885KDM4E 2909/4885

“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.