SCHEMBL3776352

SCHEMBL3776352

CN1CC(N2CC3C(C2)C3C(=O)NCc2ccc(F)c(C(F)(F)F)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.59
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
MCHR1 Q99705 1/20 0.46
PTPN7 P35236 3/20 0.44
DUSP3 P51452 3/20 0.44
SCN9A Q15858 1/20 0.44
SLC6A9 P48067 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CTSD P07339 1/20 0.40
ENPP2 Q13822 1/20 0.39

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
SCHEMBL3773431 0.92 P2RX7 (0.65) P2RX7FPR3FPR2MCHR1PTPN7
SCHEMBL711146 0.88 P2RX7 (0.53) P2RX7FPR3FPR2MCHR1PTPN7
SCHEMBL3771851 0.85 MCHR1 (0.48) P2RX7MCHR1SLC6A9KCNH2
SCHEMBL15967402 0.84 P2RX7 (0.52) P2RX7FPR3FPR2MCHR1PTPN7
SCHEMBL712500 0.82 P2RX7 (0.58) P2RX7FPR3FPR2MCHR1PTPN7
SCHEMBL3776355 0.80 P2RX7 (0.44) P2RX7FPR3FPR2PTPN7DUSP3
SCHEMBL3777509 0.78 P2RX7 (0.52) P2RX7MCHR1
SCHEMBL3765922 0.77 MCHR1 (0.52) P2RX7MCHR1SLC6A9KCNH2
SCHEMBL711060 0.76 FPR3 (0.53) P2RX7FPR3FPR2MCHR1PTPN7
SCHEMBL712109 0.76 MCHR1 (0.57) P2RX7FPR3FPR2MCHR1PTPN7

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 P2RX7 2105/4885FPR3 2134/4885FPR2 2708/4885

“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.