SCHEMBL734758

SCHEMBL734758

OCCc1c[nH]c2cc(Cl)cc(Cl)c12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.68
HTR2C P28335 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
BACE1 P56817 1/20 0.40
SLC6A4 P31645 1/20 0.40
FBP1 P09467 1/20 0.39
CYP2D6 P10635 1/20 0.39
KRAS P01116 1/20 0.36
NPC1 O15118 1/20 0.35
HTR2A P28223 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL626655 0.83 GPR17 (0.63) GPR17HTR2CGPR84CYP2D6KRAS
SCHEMBL4220443 0.79 GPR84 (0.69) GPR17HTR2CGPR84SLC6A4HTR2A
SCHEMBL9279939 0.79 GPR17 (0.62) GPR17GPR84SLC6A4KRAS
SCHEMBL28273847 0.79 GPR17 (0.58) GPR17GPR84BACE1SLC6A4KRAS
SCHEMBL6510028 0.77 GPR17 (0.73) GPR17GPR84BACE1FBP1CYP2D6
SCHEMBL626498 0.76 GPR17 (0.63) GPR17SLC6A4CYP2D6NPC1
SCHEMBL5387076 0.74 HTR2C (0.47) GPR17HTR2CGPR84SLC6A4CYP2D6
SCHEMBL1520906 0.73 IDO1 (0.58) GPR17SLC6A4CYP2D6
SCHEMBL24452687 0.72 GPR84 (0.69) HTR2CGPR84SLC6A4CYP2D6NPC1
SCHEMBL2804285 0.72 GPR17 (0.50) GPR17CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 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 (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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 GPR17 2438/4885HTR2C 167/4885GPR84 2156/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 GPR17 2908/4885HTR2C 118/4885GPR84 2597/4885

“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.