SCHEMBL4420964

SCHEMBL4420964

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4ccc(C(=O)N5CCOCC5)cc4)C3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
MLYCD O95822 1/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPHX2 P34913 1/20 0.45
PRMT5 O14744 3/20 0.45

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
SCHEMBL4430223 0.90 HRH3 (0.52) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4425012 0.90 ALDH1A1 (0.53) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4421362 0.88 ALDH1A1 (0.56) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4420965 0.88 ALDH1A1 (0.53) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4414853 0.88 SMN1; SMN2 (0.44) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4415018 0.86 USP30 (0.52) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4418779 0.83 TSHR (0.47) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4412420 0.82 RAB9A (0.55) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4413362 0.82 GAA (0.43) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL270344 0.81 ALDH1A1 (0.71) ALDH1A1GAARAB9ANPC1SMN1; 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 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 ALDH1A1 3166/4885GAA 1239/4885RAB9A 816/4885

“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.