SCHEMBL3776355

SCHEMBL3776355

CN1CC(N2CC3C(CNCc4ccc(F)c(C(F)(F)F)c4)C3C2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.44
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PTPN7 P35236 6/20 0.39
DUSP3 P51452 6/20 0.39
SLC6A9 P48067 2/20 0.39
KCNH2 Q12809 2/20 0.39
AR P10275 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
ENPP2 Q13822 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL3773434 0.92 P2RX7 (0.48) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL711147 0.87 P2RX7 (0.42) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL3770722 0.87 P2RX7 (0.44) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL3773846 0.85 P2RX7 (0.47) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL3771852 0.84 SLC6A9 (0.42) SLC6A9KCNH2CYP2D6
SCHEMBL3772620 0.82 CARM1 (0.47) P2RX7
SCHEMBL712501 0.81 P2RX7 (0.43) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL3776352 0.80 P2RX7 (0.59) P2RX7PTPN7DUSP3SLC6A9KCNH2
SCHEMBL5510202 0.79 JAK2 (0.46) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL708327 0.77 P2RX7 (0.47) P2RX7JAK2JAK1TYK2JAK3

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 2105/4885JAK2 3873/4885JAK1 3874/4885

“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.