SCHEMBL4414899

SCHEMBL4414899

CC(C)(C)c1ccc(C(=O)N2CC3C(CNc4ccc(N5CCC(N6CCOCC6)C5)nc4)C3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
ADRA1A P35348 4/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
BTK Q06187 2/20 0.40
EPHX2 P34913 1/20 0.39
CD38 P28907 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VNN1 O95497 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 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
SCHEMBL4423657 0.94 MAPT (0.42) TRPV1ADRA1AMAPTSMN1; SMN2STAT3
SCHEMBL4426434 0.93 TRPV1 (0.45) TRPV1ADRA1AL3MBTL3L3MBTL1
SCHEMBL4413367 0.90 MAPT (0.50) TRPV1ADRA1AMAPTSMN1; SMN2STAT3
SCHEMBL4419310 0.84 TRPV1 (0.42) TRPV1MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4418100 0.84 MCHR1 (0.46) TRPV1CYP1A2CYP2C19ALDH1A1L3MBTL3
SCHEMBL4415691 0.83 TRPV1 (0.52) TRPV1MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4425066 0.83 TRPV1 (0.45) TRPV1MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4415708 0.83 SMN1; SMN2 (0.51) TRPV1MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4417791 0.82 MAPT (0.46) TRPV1MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4414870 0.82 TRPV1 (0.44) TRPV1MAPTSMN1; SMN2STAT3CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 TRPV1 1359/4885ADRA1A 618/4885MAPT 1368/4885

“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.