SCHEMBL711061

SCHEMBL711061

OC1(CN2CC3C(CNCc4ccc(F)c(C(F)(F)F)c4)C3C2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
PTPN7 P35236 3/20 0.36
DUSP3 P51452 3/20 0.36
AR P10275 3/20 0.35
CXCR3 P49682 1/20 0.34
CTSD P07339 1/20 0.33
GPR183 P32249 1/20 0.33
EPHX1 P07099 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
NPY1R P25929 1/20 0.32
NPY5R Q15761 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL709899 0.86 OPRM1 (0.38) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL5517976 0.83 DPP7 (0.45)
SCHEMBL711060 0.82 FPR3 (0.53) P2RX7FPR3FPR2PTPN7DUSP3
SCHEMBL5512689 0.82 DPP7 (0.43) P2RX7
SCHEMBL3773846 0.81 P2RX7 (0.47) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL711118 0.79 CXCR4 (0.43)
SCHEMBL5506741 0.79 JAK2 (0.43) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL5510202 0.79 JAK2 (0.46) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL712501 0.79 P2RX7 (0.43) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL3781189 0.78 CARM1 (0.43)

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 P2RX7 2105/4885JAK2 3873/4885JAK1 3874/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 P2RX7 1885/4885JAK2 3963/4885JAK1 3941/4885

“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.