SCHEMBL4414898

SCHEMBL4414898

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4[c]ccc(N5CCC(N6CCOCC6)C5)n4)C3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.40
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BRAF P15056 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
LCK P06239 1/20 0.35
JAK3 P52333 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 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
SCHEMBL4423656 0.95 BTK (0.39) BTKL3MBTL3L3MBTL1POLBRAB9A
SCHEMBL4413362 0.92 GAA (0.43) BTKPOLBRAB9ASMN1; SMN2GAA
SCHEMBL4419305 0.86 SMN1; SMN2 (0.35) BTKPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4418097 0.85 HRH3 (0.39) BTKL3MBTL3POLBRAB9ASMN1; SMN2
SCHEMBL4415706 0.84 HPGD (0.44) BTKPOLBRAB9ASMN1; SMN2GAA
SCHEMBL4425062 0.84 TSHR (0.36) BTKPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4414890 0.84 ALDH1A1 (0.41) BTKPOLBRAB9ASMN1; SMN2GAA
SCHEMBL4414867 0.84 GBA1 (0.36) BTKPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4552355 0.83 RAF1 (0.39) BTKPOLBBRAFGAA
SCHEMBL4418158 0.82 SMN1; SMN2 (0.39) BTKPOLBRAB9ASMN1; SMN2GAA

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 2658/4885L3MBTL3 2075/4885L3MBTL1 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.