SCHEMBL4414138

SCHEMBL4414138

Fc1cc(NCC2C3CN(Cc4cccc(Oc5ccccc5)c4)CC23)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
FAAH O00519 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
F10 P00742 1/20 0.40
GAA P10253 2/20 0.39
CCR8 P51685 3/20 0.38
KMT2A Q03164 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4423662 0.93 CNR2 (0.42) KDM4EALDH1A1HPGDHTTFAAH
SCHEMBL4425285 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDHTTFAAH
SCHEMBL4419245 0.90 NPC1 (0.46) KDM4EALDH1A1HPGDHTTNPC1
SCHEMBL4412004 0.89 KCNH2 (0.46) KDM4EALDH1A1HPGDHTTNPC1
SCHEMBL2179983 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDHTTFAAH
SCHEMBL4415858 0.87 FAAH (0.42) KDM4EALDH1A1HPGDHTTFAAH
SCHEMBL4413545 0.86 NPC1 (0.43) KDM4EALDH1A1HPGDFAAHNPC1
SCHEMBL4424484 0.86 LMNA (0.41) KDM4EALDH1A1HPGDHTTNPC1
SCHEMBL4418914 0.85 ALDH1A1 (0.45) KDM4EALDH1A1HPGDFAAHNPC1
SCHEMBL4421360 0.85 NPC1 (0.43) KDM4EALDH1A1HPGDHTTNPC1

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 2032/4885ALDH1A1 3166/4885HPGD 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.