SCHEMBL596045

SCHEMBL596045

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKR1C3 P42330 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL30887165 1.00 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL10233648 0.92 DRD2 (0.44) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL9637836 0.89 KDM4E (0.51) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL9847654 0.87 DRD2 (0.47) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL11183111 0.86 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL27501851 0.85 DRD2 (0.42) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL11425582 0.85 DRD2 (0.43) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL6141223 0.85 DRD2 (0.43) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL7528964 0.85 DRD2 (0.41) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL8942319 0.84 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
EP-0545415-B1 Process for the preparation of arylidene dyes EASTMAN KODAK CO (US) 1997-06-18 EP claimed
EP-0545415-A2 Process for the preparation of arylidene dyes EASTMAN KODAK COMPANY (US) 1993-06-09 EP claimed
US-5214186-A Reaction of alkyl formate, methylene compound, and aromatic amine EASTMAN KODAK COMPANY (US) 1993-05-25 US claimed
CN-1040998-A HETEROCYCLIC ACTIVE DISPERSE DYE DALIAN SCIENCE AND TECHNOLOGY (CN) 1990-04-04 CN claimed
CN-109053712-A A kind of 2- aminothiophene -3- carboxylate methyl ester derivative C15H22N2O5The synthetic method of S 南京大学连云港高新技术研究院 2018-12-21 CN disclosed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US 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
EP-0017558-A1 Heterocyclic azo compounds having sulfate groups EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1980-10-15 EP disclosed
US-4185151-A 1-R-2-(U-HYDROXYALKYL-2,2,4-TRIMETHYL TETRAHYDROQUINOL-6-YL) BENZ(CD)INDOLES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed
US-4088673-A Process for the preparation of styryl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed
US-4012372-A MONOAZO DISPERSE DYES EASTMAN KODAK COMPANY (US) 1977-03-15 US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3951942-A Phenyl-azo-tetrahydroquinoline azo compounds THE UNIVERSITY OF DELAWARE (US) 1976-04-20 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 (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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX DRD2 3380/4885DRD4 2844/4885KDM4E 2909/4885
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.