SCHEMBL712554

SCHEMBL712554

CC(C)(C)OC(=O)N1CC2C(CNCc3ccc(F)c(C(F)(F)F)c3)C2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.46
PREP P48147 1/20 0.45
TACR1 P25103 2/20 0.41
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
EPHX2 P34913 1/20 0.40
USP30 Q70CQ3 3/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
ENPP2 Q13822 1/20 0.38
NAMPT P43490 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL708797 0.87 USP30 (0.42) P2RX7TACR1JAK3USP30GPR119
SCHEMBL710560 0.83 TACR1 (0.50) P2RX7TACR1ENPP2NAMPT
SCHEMBL20116386 0.82 SMN1; SMN2 (0.50) JAK3USP30GPR119NAMPT
SCHEMBL3773434 0.81 P2RX7 (0.48) P2RX7JAK3JAK2JAK1TYK2
SCHEMBL712166 0.81 SMN1; SMN2 (0.47) P2RX7JAK3NAMPT
SCHEMBL710769 0.79 GLS (0.44) TACR1EPHX2GPR119NAMPT
SCHEMBL3773846 0.79 P2RX7 (0.47) P2RX7JAK3JAK2JAK1TYK2
SCHEMBL3776355 0.76 P2RX7 (0.44) P2RX7JAK3JAK2JAK1TYK2
SCHEMBL5510202 0.75 JAK2 (0.46) P2RX7JAK3JAK2JAK1TYK2
SCHEMBL712501 0.75 P2RX7 (0.43) P2RX7JAK3JAK2JAK1TYK2

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 4 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 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 2105/4885PREP 1417/4885TACR1 467/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 P2RX7 1885/4885PREP 1643/4885TACR1 550/4885

“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.