SCHEMBL4421587

SCHEMBL4421587

CCc1ccc(CN2CC3C(C2)C3C(=O)Nc2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
GFER P55789 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
POLB P06746 1/20 0.45
GHSR Q92847 1/20 0.44

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
SCHEMBL4413751 0.83 RAB9A (0.50) ALDH1A1HTTRAB9ASMN1; SMN2NPSR1
SCHEMBL2167264 0.83 FAAH (0.52) ALDH1A1HTTLMNARAB9ASMN1; SMN2
SCHEMBL4421593 0.79 ALDH1A1 (0.49) ALDH1A1HTTL3MBTL1LMNARAB9A
SCHEMBL4431183 0.79 SMN1; SMN2 (0.44) ALDH1A1HTTRAB9ASMN1; SMN2NPSR1
SCHEMBL29215851 0.75 POLB (0.58) RAB9ATP53MAPTNPC1KMT2A
SCHEMBL30268809 0.75 POLB (0.58) RAB9ATP53MAPTNPC1KMT2A
SCHEMBL4431016 0.73 MAPT (0.43) ALDH1A1HTTL3MBTL1LMNAGFER
SCHEMBL2168187 0.69 GFER (0.46) ALDH1A1HTTL3MBTL1LMNARAB9A
SCHEMBL4421484 0.69 S1PR1 (0.53) ALDH1A1HTTLMNASMN1; SMN2GFER
SCHEMBL11353029 0.68 ALDH1A1 (0.83) ALDH1A1HTTL3MBTL1LMNASMN1; SMN2

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 ALDH1A1 3166/4885HTT 1090/4885L3MBTL1 1416/4885

“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.