SCHEMBL4421392

SCHEMBL4421392

CN1CCCN(c2cc[c]c(C(=O)NCC3C4CN(C(=O)c5ccc(C(C)(C)C)cc5)CC34)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
GBA1 P04062 4/20 0.40
SMN1; SMN2 Q16637 7/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
BRAF P15056 1/20 0.35
APAF1 O14727 1/20 0.35
GAA P10253 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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 0.97 HPGD (0.44) HPGDALOX15GBA1SMN1; SMN2HTT
SCHEMBL4414867 0.88 GBA1 (0.36) HPGDALOX15GBA1SMN1; SMN2HTT
SCHEMBL4413362 0.88 GAA (0.43) GBA1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL4419305 0.85 SMN1; SMN2 (0.35) HPGDALOX15GBA1SMN1; SMN2HTT
SCHEMBL4418097 0.84 HRH3 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4425062 0.83 TSHR (0.36) GBA1SMN1; SMN2HTTALDH1A1MEN1
SCHEMBL4424740 0.83 HPGDS (0.37) HPGDALOX15GBA1SMN1; SMN2HTT
SCHEMBL4423656 0.83 BTK (0.39) GBA1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL6500299 0.82 HPGD (0.34) HPGDALOX15SMN1; SMN2HTTALDH1A1
SCHEMBL4414898 0.82 BTK (0.40) SMN1; SMN2ALDH1A1MAPTLCKJAK3

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 HPGD 2537/4885ALOX15 3524/4885GBA1 330/4885

“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.