SCHEMBL4414853

SCHEMBL4414853

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4ccc(C5CCOCC5)cc4)C3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4414858 0.89 CRHBP (0.43) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL4420964 0.88 ALDH1A1 (0.53) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL4430223 0.82 HRH3 (0.52) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL4418158 0.82 SMN1; SMN2 (0.39) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL4418779 0.79 TSHR (0.47) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL4415018 0.79 USP30 (0.52) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL4425012 0.78 ALDH1A1 (0.53) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL4418160 0.78 TRPC6 (0.41) SMN1; SMN2RAB9APOLBALDH1A1GAA
SCHEMBL4423767 0.77 SMN1; SMN2 (0.41) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL4412420 0.77 RAB9A (0.55) SMN1; SMN2RAB9APOLBMEN1KMT2A

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 9 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
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US 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.