SCHEMBL4413642

SCHEMBL4413642

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4[c]ccc(C5=CCOCC5)n4)C3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
BTK Q06187 4/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
NPY5R Q15761 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4419636 0.84 SMN1; SMN2 (0.34) SMN1; SMN2RAB9APOLBBTKPIK3CD
SCHEMBL4418158 0.83 SMN1; SMN2 (0.39) SMN1; SMN2RAB9APOLBBTKNPY5R
SCHEMBL4415367 0.81 CACNA1H (0.38) SMN1; SMN2RAB9APOLBNPY5RCRHBP
SCHEMBL4413362 0.81 GAA (0.43) SMN1; SMN2RAB9APOLBBTKALDH1A1
SCHEMBL4414890 0.80 ALDH1A1 (0.41) SMN1; SMN2RAB9APOLBBTKALDH1A1
SCHEMBL4423656 0.78 BTK (0.39) SMN1; SMN2RAB9APOLBBTKALDH1A1
SCHEMBL4415706 0.77 HPGD (0.44) SMN1; SMN2RAB9APOLBBTKALDH1A1
SCHEMBL4413646 0.77 CRHBP (0.39) SMN1; SMN2RAB9APOLBBTKPIK3CD
SCHEMBL4414898 0.77 BTK (0.40) SMN1; SMN2RAB9APOLBBTKALDH1A1
SCHEMBL4414867 0.76 GBA1 (0.36) SMN1; SMN2RAB9APOLBBTKNPY5R

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 SMN1; SMN2 4003/4885RAB9A 816/4885POLB 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.