SCHEMBL708601

SCHEMBL708601

O=C(NCc1cccc(OC(F)(F)F)c1)C1C2CN(Cc3ccc(C(F)(F)F)cc3)CC21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.52
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MAPK14 Q16539 1/20 0.48
CHRM4 P08173 6/20 0.47
EPHX2 P34913 1/20 0.47
NAMPT P43490 1/20 0.47
TEAD1 P28347 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SCN9A Q15858 3/20 0.45
CFD P00746 1/20 0.44

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
SCHEMBL712567 0.93 MCHR1 (0.55) MCHR1MAPK14CHRM4EPHX2NAMPT
SCHEMBL708521 0.92 MCHR1 (0.58) MCHR1ROCK2ROCK1MAPK14CHRM4
SCHEMBL3777504 0.85 MCHR1 (0.56) MCHR1CHRM4TEAD1SCN9A
SCHEMBL710203 0.84 MEN1 (0.50) MCHR1MAPK14CHRM4EPHX2NAMPT
SCHEMBL5515774 0.83 CARM1 (0.50) MCHR1ROCK2ROCK1MAPK14CHRM4
SCHEMBL708602 0.81 CARM1 (0.45) MCHR1ROCK2ROCK1MAPK14CHRM4
SCHEMBL712109 0.81 MCHR1 (0.57) MCHR1CHRM4TEAD1SCN9A
SCHEMBL5517975 0.78 CARM1 (0.47) MCHR1ROCK2ROCK1MAPK14EPHX2
SCHEMBL31717455 0.76 MCHR1 (0.48) MCHR1EPHX2CHRM2
SCHEMBL31717583 0.76 MCHR1 (0.48) MCHR1EPHX2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed
US-8124639-B2 Bicyclic [3.1.0] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. (US) 2012-02-28 US disclosed
US-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 US disclosed
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. 2006-10-12 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 (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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 MCHR1 918/4885ROCK2 3564/4885ROCK1 2222/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 MCHR1 963/4885ROCK2 3765/4885ROCK1 2465/4885

“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.