SCHEMBL3776502

SCHEMBL3776502

Clc1cccc(CNCC2C3CN(C4CNC4)CC23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CXCR4 P61073 3/20 0.42
P2RX7 Q99572 1/20 0.39
POLB P06746 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
HDAC1 Q13547 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL15967360 0.86 CHRM2 (0.50) CHRM2CXCR4NOS1NOS3CYP1A2
SCHEMBL3777511 0.85 CXCR4 (0.45) CHRM2CXCR4P2RX7CARM1PRMT6
Hydrochloric Acid SCHEMBL708458 0.84 CHRM2 (0.49) CHRM2CXCR4NOS1NOS3CYP1A2
SCHEMBL5505044 0.83 CXCR4 (0.43) CHRM2CXCR4P2RX7POLBCARM1
SCHEMBL3777733 0.83 PRMT5 (0.41) CXCR4HDAC1SLC6A9SLC6A4
SCHEMBL3783229 0.82 P2RX7 (0.42) P2RX7CARM1PRMT6NOS1
SCHEMBL713075 0.81 CXCR4 (0.50) CHRM2CXCR4P2RX7CARM1PRMT6
SCHEMBL3770111 0.81 CXCR4 (0.49) CHRM2CXCR4P2RX7CARM1PRMT6
SCHEMBL3770904 0.80 CARM1 (0.44) CARM1PRMT6SLC6A9SLC6A4
SCHEMBL710944 0.79 CARM1 (0.50) CHRM2CXCR4P2RX7CARM1PRMT6

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 6 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
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 CHRM2 545/4885CXCR4 815/4885P2RX7 2105/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 CHRM2 513/4885CXCR4 890/4885P2RX7 1885/4885

“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.