SCHEMBL3776499

SCHEMBL3776499

O=C(NCC1C2CN(C3CNC3)CC12)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.49
KCNH2 Q12809 4/20 0.48
CACNA1I Q9P0X4 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
P2RX7 Q99572 1/20 0.46
CCR2 P41597 1/20 0.44
NAMPT P43490 1/20 0.43
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL15967359 0.86 OPRM1 (0.54) CACNA1HKCNH2CACNA1IOPRM1OPRD1
Hydrochloric Acid SCHEMBL708457 0.85 OPRM1 (0.53) CACNA1HKCNH2CACNA1IOPRM1OPRD1
SCHEMBL3777728 0.84 KCNH2 (0.51) CACNA1HKCNH2CACNA1ICYP2C9IDO1
SCHEMBL3783226 0.83 CCR2 (0.49) KCNH2CCR2CHRM3
SCHEMBL3770903 0.81 CHRM3 (0.48) CCR2NAMPTCHRM3MCHR1
SCHEMBL3770718 0.78 KCNH2 (0.45) CACNA1HKCNH2P2RX7CYP2C9IDO1
SCHEMBL3776502 0.76 CHRM2 (0.43) P2RX7
SCHEMBL15967356 0.76 KCNH2 (0.43) CACNA1HKCNH2CYP2C9IDO1
SCHEMBL5510482 0.73 CACNA1H (0.61) CACNA1HKCNH2CACNA1IP2RX7
SCHEMBL3772616 0.72 ALDH1A1 (0.52) KCNH2CCR2

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 CACNA1H 797/4885KCNH2 694/4885CACNA1I 432/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 CACNA1H 738/4885KCNH2 733/4885CACNA1I 394/4885

“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.