SCHEMBL4414867

SCHEMBL4414867

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4[c]ccc(N5CCSCC5)n4)C3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
NPY5R Q15761 2/20 0.35
THRB P10828 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL4415706 0.91 HPGD (0.44) GBA1SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL4413362 0.90 GAA (0.43) GBA1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL4421392 0.88 HPGD (0.41) GBA1SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL4418097 0.88 HRH3 (0.39) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4419305 0.86 SMN1; SMN2 (0.35) GBA1SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL4425062 0.85 TSHR (0.36) GBA1SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL4424740 0.85 HPGDS (0.37) GBA1SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL4423656 0.85 BTK (0.39) GBA1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL4414898 0.84 BTK (0.40) SMN1; SMN2ALDH1A1MAPK1LMNAPOLB
SCHEMBL4415367 0.83 CACNA1H (0.38) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A

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 GBA1 330/4885SMN1; SMN2 4003/4885ALDH1A1 3166/4885

“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.