SCHEMBL3775181

SCHEMBL3775181

CN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
GPR139 Q6DWJ6 1/20 0.49
SLC6A9 P48067 3/20 0.48
KCNH2 Q12809 2/20 0.48
CCR2 P41597 1/20 0.47
CHRM3 P20309 1/20 0.46
DDR1 Q08345 2/20 0.46
KAT6A Q92794 1/20 0.44
HTR2C P28335 1/20 0.43
MAPK14 Q16539 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
MCHR1 Q99705 1/20 0.43
ROCK2 O75116 1/20 0.43
CACNA1H O95180 1/20 0.43

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
SCHEMBL15966984 0.93 NAMPT (0.47) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5506744 0.89 NAMPT (0.49) NAMPTTAS1R3TAS1R1TAS1R2GPR139
Hydrochloric Acid SCHEMBL710199 0.88 NAMPT (0.48) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5509528 0.88 GPR139 (0.52) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5510879 0.88 CACNA1H (0.60) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5510523 0.88 GPR139 (0.49) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5512495 0.87 POLB (0.48) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5512693 0.86 GPR139 (0.50) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5510629 0.86 NAMPT (0.47) NAMPTTAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5509516 0.86 NAMPT (0.49) NAMPTTAS1R3TAS1R1TAS1R2GPR139

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 5 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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 NAMPT 3601/4885TAS1R3 940/4885TAS1R1 560/4885

“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.