SCHEMBL4552355

SCHEMBL4552355

CC(C)(C#N)c1ccc(C(=O)N2CC3C(CNC(=O)c4[c]ccc(N5CCOCC5)n4)C3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.39
BRAF P15056 17/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
BTK Q06187 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
SCHEMBL4413362 0.91 GAA (0.43) POLBGAABTK
SCHEMBL4423656 0.85 BTK (0.39) POLBGAABTK
SCHEMBL4414898 0.83 BTK (0.40) BRAFPOLBGAABTK
SCHEMBL4415706 0.82 HPGD (0.44) POLBGAABTK
SCHEMBL4414867 0.82 GBA1 (0.36) POLBBTK
SCHEMBL4418158 0.80 SMN1; SMN2 (0.39) POLBGAABTK
SCHEMBL4421392 0.80 HPGD (0.41) BRAFPOLBGAA
SCHEMBL4552356 0.79 BRAF (0.48) RAF1BRAFPOLB
SCHEMBL4417986 0.79 USP30 (0.49) RAF1BRAF
SCHEMBL4414890 0.79 ALDH1A1 (0.41) POLBGAABTK

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 RAF1 2136/4885BRAF 3436/4885POLB 2927/4885

“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.