SCHEMBL1345997

SCHEMBL1345997

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
PRKD1 Q15139 4/20 0.42
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
MAPK14 Q16539 1/20 0.37
FYN P06241 3/20 0.36
CD274 Q9NZQ7 1/20 0.36
MDM2 Q00987 1/20 0.36
LDHB P07195 2/20 0.36
LDHA P00338 1/20 0.36
MAP2K4 P45985 1/20 0.36
KDM1A O60341 1/20 0.36
VNN1 O95497 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKD2 Q9BZL6 1/20 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
SCHEMBL12132356 1.00 DHODH (0.44) DHODHPRKD1AXLMERTKMAPK14
SCHEMBL1347870 0.88 DHODH (0.44) DHODHPRKD1AXLMERTKFYN
SCHEMBL1347868 0.88 DHODH (0.44) DHODHPRKD1AXLMERTKFYN
SCHEMBL1348035 0.86 OPRM1 (0.45) DHODHPRKD1AXLMERTKFYN
SCHEMBL1347565 0.85 PRKD1 (0.48) PRKD1FYNCD274LDHBLDHA
SCHEMBL1348071 0.85 PRKD1 (0.48) PRKD1FYNCD274LDHBLDHA
SCHEMBL1347566 0.85 PRKD1 (0.48) PRKD1FYNCD274LDHBLDHA
SCHEMBL1347356 0.83 PRKD1 (0.44) PRKD1MAPK14CD274KDM1APRKD3
SCHEMBL1347793 0.76 DHODH (0.44) DHODHMAPK14FYNLDHBLDHA
SCHEMBL1348274 0.74 KDM1A (0.49) PRKD1AXLMERTKFYNCD274

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 3 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 DHODH 2467/4885PRKD1 4556/4885AXL 650/4885

“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.