SCHEMBL4430223

SCHEMBL4430223

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4ccc(CN5CCOCC5)cc4)C3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL4425012 0.92 ALDH1A1 (0.53) HRH3KMT2AHPGDMEN1ALDH1A1
SCHEMBL4420964 0.90 ALDH1A1 (0.53) KMT2AHPGDMEN1ALDH1A1GAA
SCHEMBL4430225 0.90 HRH3 (0.51) HRH3KMT2AHPGDMEN1ALDH1A1
SCHEMBL4412087 0.85 MAPT (0.57) KMT2AHPGDMEN1ALDH1A1TSHR
SCHEMBL4414890 0.83 ALDH1A1 (0.41) HRH3KMT2AMEN1ALDH1A1GAA
SCHEMBL4414853 0.82 SMN1; SMN2 (0.44) KMT2AHPGDMEN1ALDH1A1GAA
SCHEMBL4425014 0.82 ALDH1A1 (0.52) HRH3KMT2AHPGDMEN1ALDH1A1
SCHEMBL4415018 0.81 USP30 (0.52) KMT2AHPGDMEN1ALDH1A1TSHR
SCHEMBL4420887 0.79 USP30 (0.49) KMT2AHPGDALDH1A1TSHRKDM4E
SCHEMBL4421362 0.79 ALDH1A1 (0.56) KMT2AHPGDALDH1A1GAAKDM4E

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 HRH3 459/4885KMT2A 1892/4885HPGD 2537/4885

“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.