SCHEMBL3777751

SCHEMBL3777751

Clc1cccc(CNCC2C3CN(CC4CCCC4)CC23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.49
MC4R P32245 1/20 0.43
CHRM2 P08172 1/20 0.42
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
F2 P00734 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KDM2B Q8NHM5 2/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3770856 0.95 CXCR4 (0.51) CXCR4MC4RCHRM2MAPTCARM1
SCHEMBL5513143 0.83 OPRM1 (0.45) CARM1PRMT6KDM4EALDH1A1GAA
SCHEMBL713075 0.83 CXCR4 (0.50) CXCR4CHRM2CARM1PRMT6
SCHEMBL710944 0.81 CARM1 (0.50) CXCR4CHRM2CARM1PRMT6KDM2B
SCHEMBL3763870 0.80 SLC6A9 (0.53) CARM1PRMT6
SCHEMBL3770111 0.80 CXCR4 (0.49) CXCR4CHRM2MAPTCARM1PRMT6
SCHEMBL5511229 0.79 SLC6A9 (0.52) CARM1PRMT6KDM4EALDH1A1
SCHEMBL3777749 0.78 MC4R (0.56) MC4RMAPTALOX12F2GLA
SCHEMBL3776690 0.78 CARM1 (0.45) CARM1PRMT6KDM4EALDH1A1GAA
SCHEMBL710582 0.78 CARM1 (0.45) CXCR4CHRM2CARM1PRMT6

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 CXCR4 815/4885MC4R 3155/4885CHRM2 545/4885

“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.