SCHEMBL1347643

SCHEMBL1347643

Cc1cc(CNC2CCC(C(C)(C)C)CC2)ccc1-c1cccc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PRKD1 Q15139 2/20 0.40
ENPP2 Q13822 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
S1PR5 Q9H228 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH2 P05091 1/20 0.38
FAAH O00519 2/20 0.37

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
SCHEMBL1347596 0.89 TMEM97 (0.44) SHMT1PRKD1ENPP2KDM1AMAOA
SCHEMBL1347855 0.89 TMEM97 (0.44) SHMT1PRKD1ENPP2KDM1AMAOA
SCHEMBL1347598 0.89 TMEM97 (0.44) SHMT1PRKD1ENPP2KDM1AMAOA
SCHEMBL1347356 0.87 PRKD1 (0.44) SHMT1OPRM1OPRD1OPRK1PRKD1
SCHEMBL1348974 0.86 OPRM1 (0.49) SHMT1OPRM1OPRD1OPRK1PRKD1
SCHEMBL12651157 0.83 OPRM1 (0.58) SHMT1OPRM1OPRD1OPRK1KDM1A
SCHEMBL1347870 0.83 DHODH (0.44) OPRM1OPRD1OPRK1PRKD1KDM1A
SCHEMBL1347868 0.83 DHODH (0.44) OPRM1OPRD1OPRK1PRKD1KDM1A
Trifluoroacetic Acid SCHEMBL3346142 0.82 OPRM1 (0.45) SHMT1OPRM1OPRD1OPRK1KDM1A
SCHEMBL1347367 0.82 KDM1A (0.47) PRKD1ENPP2KDM1AMAOAMAOB

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 SHMT1 4265/4885OPRM1 1/4885OPRD1 3/4885

“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.