SCHEMBL4425285

SCHEMBL4425285

COc1cccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
WDR5 P61964 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
TACR1 P25103 2/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH2 P05091 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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
SCHEMBL2179983 0.91 KDM4E (0.42) KDM4EALDH1A1GAAALOX15MAPK1
SCHEMBL4414138 0.90 KDM4E (0.52) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL4415239 0.90 SMN1; SMN2 (0.46) KDM4EMAPTMAPK1ALDH2LMNA
SCHEMBL4415858 0.90 FAAH (0.42) KDM4EPOLBMAPTALDH1A1GAA
SCHEMBL4412004 0.90 KCNH2 (0.46) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL4424484 0.88 LMNA (0.41) KDM4EMAPTWDR5ALDH1A1GAA
SCHEMBL4419245 0.87 NPC1 (0.46) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL4423662 0.85 CNR2 (0.42) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL4421535 0.85 ALDH2 (0.43) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL4413545 0.85 NPC1 (0.43) KDM4EMAPTALDH1A1GAAALOX15

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 KDM4E 2032/4885POLB 2927/4885MAPT 1368/4885

“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.