SCHEMBL709899

SCHEMBL709899

OC1(CN2CC3C(CNCc4ccc(F)c(C(F)(F)F)c4)C3C2)Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.38
P2RX7 Q99572 4/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
KCNH2 Q12809 2/20 0.35
PTPN7 P35236 3/20 0.35
DUSP3 P51452 3/20 0.35
DRD4 P21917 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL711061 0.86 P2RX7 (0.39) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL709898 0.83 MCHR1 (0.51) OPRM1P2RX7OPRD1OPRK1KCNH2
SCHEMBL5517968 0.81 CXCR4 (0.43) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5510547 0.80 CARM1 (0.43) OPRM1OPRD1OPRK1KCNH2DRD4
SCHEMBL3773846 0.79 P2RX7 (0.47) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL712501 0.77 P2RX7 (0.43) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL5510202 0.77 JAK2 (0.46) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL3773434 0.77 P2RX7 (0.48) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL711633 0.76 DRD4 (0.47) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL5506741 0.76 JAK2 (0.43) OPRM1P2RX7JAK2JAK1TYK2

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 OPRM1 550/4885P2RX7 2105/4885JAK2 3873/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 OPRM1 585/4885P2RX7 1885/4885JAK2 3963/4885

“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.