SCHEMBL4413751

SCHEMBL4413751

CCc1ccc(CN2CC3C(C2)C3C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 2/20 0.46
S1PR1 P21453 4/20 0.45
S1PR5 Q9H228 4/20 0.45
POLB P06746 1/20 0.45
S1PR4 O95977 3/20 0.44
FAAH O00519 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL4421587 0.83 ALDH1A1 (0.52) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2167264 0.83 FAAH (0.52) RAB9AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL4431183 0.79 SMN1; SMN2 (0.44) RAB9AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL4413752 0.78 ALDH1A1 (0.44) RAB9AALDH1A1KDM4EMAPTHTT
SCHEMBL30268809 0.75 POLB (0.58) RAB9AKDM4EMAPTTP53NPC1
SCHEMBL29215851 0.75 POLB (0.58) RAB9AKDM4EMAPTTP53NPC1
SCHEMBL12264103 0.74 RAB9A (0.65) RAB9AMAPTSMN1; SMN2TP53HTT
SCHEMBL4431016 0.73 MAPT (0.43) ALDH1A1KDM4EMAPTHTTPOLB
SCHEMBL7301317 0.72 NR1H4 (0.73) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL797980 0.71 S1PR1 (0.60) RAB9AALDH1A1KDM4EMAPTS1PR1

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 9 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
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 RAB9A 816/4885ALDH1A1 3166/4885KDM4E 2032/4885

“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.