SCHEMBL4423656

SCHEMBL4423656

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4[c]ccc(N5CC(N6CCOCC6)C5)n4)C3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.35
JAK3 P52333 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GBA1 P04062 1/20 0.34
JAK1 P23458 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
SCHEMBL4414898 0.95 BTK (0.40) BTKGAAALDH1A1POLBRAB9A
SCHEMBL4413362 0.93 GAA (0.43) BTKGAAALDH1A1POLBRAB9A
SCHEMBL4419305 0.87 SMN1; SMN2 (0.35) BTKALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4415706 0.86 HPGD (0.44) BTKGAAALDH1A1POLBRAB9A
SCHEMBL4414890 0.85 ALDH1A1 (0.41) BTKGAAALDH1A1POLBRAB9A
SCHEMBL4414867 0.85 GBA1 (0.36) BTKALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4552355 0.85 RAF1 (0.39) BTKGAAPOLB
SCHEMBL4421392 0.83 HPGD (0.41) GAAALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4418097 0.83 HRH3 (0.39) BTKALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4425062 0.82 TSHR (0.36) BTKALDH1A1POLBRAB9ASMN1; 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 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 BTK 2658/4885GAA 1239/4885ALDH1A1 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.