SCHEMBL3267595

SCHEMBL3267595

Cc1cc(C)c2c(CCO)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
CYP2D6 P10635 1/20 0.43
GPR17 Q13304 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
NPC1 O15118 2/20 0.39
HTR2A P28223 3/20 0.39
HTR1A P08908 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
HTR1D P28221 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL1587240 0.84 HTR2A (0.57) HTR2CCYP2D6HTR2AHTR1AMAPT
Hydrochloric Acid SCHEMBL7817897 0.83 HTR2A (0.55) HTR2CCYP2D6HTR2AHTR1AMAPT
SCHEMBL2673123 0.78 KDM4E (0.55) GPR17GPR84KDM4EPOLBMAPT
SCHEMBL2255648 0.77 HTR2A (0.47) HTR2CCYP2D6GPR84HTR2AHTR1A
SCHEMBL2847756 0.77 ICMT (0.51) GPR17GPR84HTR2AKDM4EPOLB
SCHEMBL2257565 0.76 CSNK2A1 (0.45) GPR84HTR2AKDM4EPOLBMAPT
SCHEMBL11489734 0.76 NR3C1 (0.37) NPC1HTR2AMAPTRAB9AATM
SCHEMBL3964357 0.75 GPR84 (0.71) HTR2CGPR84HTR2AHTR1AHTR1D
SCHEMBL9157239 0.75 GPR17 (0.47) GPR17KDM4EPOLBMAPTGRIN2D
SCHEMBL27697649 0.74 KDM4E (0.41) GPR17NPC1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541553-B1 INDOLINE COMPOUND AND MEDICINAL USE THEREOF KYOTO PHARMA IND (JP) 2010-06-02 EP disclosed
US-7429612-B2 Indoline compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2008-09-30 US disclosed
US-20060128787-A1 Novel indoline compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2006-06-15 US disclosed
US-RE38970-E1 Indolyl or indolinyl derivatives and medicinal use thereof as ACAT or lipid peroxidation inhibitors KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2006-02-07 US disclosed
EP-1541553-A1 NOVEL INDOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2005-06-15 EP disclosed
EP-0866059-B1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF KYOTO PHARMA IND (JP) 2001-12-05 EP disclosed
US-6200988-B1 TETRAHYDROQUINOLINE DERIVATES; INHIBITORS OF ACYL COA:CHOLESTEROL ACYLTRANSFERASE AND LIPOPEROXIDATION; ARTERIOSCLEROSIS: CARDIOVASCULAR AND BRAIN DISORDERS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-03-13 US disclosed
US-6063806-A CARBOXY ACID OR ESTER DERIVATIVES OF INDOLINE OR INDOLE KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-16 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-20060128787-A1 Novel indoline compound and medicinal use thereof ACAT2, ACAT1, ACOX1 HTR2C 1563/4885CYP2D6 547/4885GPR17 1649/4885

“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.