SCHEMBL712109

SCHEMBL712109

O=C(NCc1ccc(F)c(C(F)(F)F)c1)C1C2CN(Cc3ccc(OC(F)(F)F)cc3)CC21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.57
P2RX7 Q99572 4/20 0.53
TEAD1 P28347 1/20 0.51
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
HTR2C P28335 2/20 0.45
SCN9A Q15858 1/20 0.43
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
CHRM4 P08173 5/20 0.41
PTPN7 P35236 2/20 0.41
DUSP3 P51452 2/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL711632 0.89 MCHR1 (0.60) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL3777504 0.85 MCHR1 (0.56) MCHR1TEAD1HTR2CSCN9ACHRM4
SCHEMBL712567 0.85 MCHR1 (0.55) MCHR1TEAD1HTR2CSCN9ACHRM4
SCHEMBL712110 0.81 TEAD1 (0.46) MCHR1P2RX7TEAD1PTPN7DUSP3
SCHEMBL712500 0.81 P2RX7 (0.58) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL708601 0.81 MCHR1 (0.52) MCHR1TEAD1SCN9ACHRM4
SCHEMBL3773431 0.80 P2RX7 (0.65) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL711001 0.80 MCHR1 (0.54) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL708521 0.80 MCHR1 (0.58) MCHR1TEAD1SCN9ACHRM4
SCHEMBL711060 0.77 FPR3 (0.53) MCHR1P2RX7FPR3FPR2SCN9A

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-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 918/4885P2RX7 2105/4885TEAD1 2150/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 MCHR1 963/4885P2RX7 1885/4885TEAD1 1942/4885

“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.