SCHEMBL1348035

SCHEMBL1348035

Cc1cc(CNC2CCC(C)(C)CC2)cnc1-c1cccc(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
DHODH Q02127 2/20 0.44
AXL P30530 3/20 0.39
MERTK Q12866 3/20 0.39
MAPK1 P28482 1/20 0.39
WNT3A P56704 3/20 0.38
CCNT1 O60563 1/20 0.38
CCND1 P24385 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK6 Q00534 1/20 0.38
PRKD1 Q15139 1/20 0.37
FYN P06241 1/20 0.36
KDM1A O60341 2/20 0.36

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
SCHEMBL1347868 0.86 DHODH (0.44) OPRM1OPRD1OPRK1DHODHAXL
SCHEMBL1347870 0.86 DHODH (0.44) OPRM1OPRD1OPRK1DHODHAXL
SCHEMBL1345997 0.86 DHODH (0.44) DHODHAXLMERTKPRKD1FYN
SCHEMBL12132356 0.86 DHODH (0.44) DHODHAXLMERTKPRKD1FYN
SCHEMBL1345620 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1MAPK1CCNT1
SCHEMBL1348974 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1PRKD1KDM1A
SCHEMBL1788728 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1MAPK1PRKD1
SCHEMBL1348474 0.81 OPRM1 (0.56) OPRM1OPRD1OPRK1PRKD1KDM1A
Hydrochloric Acid SCHEMBL1789031 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1PRKD1KDM1A
SCHEMBL1786352 0.80 OPRM1 (0.44) OPRM1OPRD1OPRK1AXLMAPK1

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
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 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 (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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 4/4885

“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.