SCHEMBL4419442

SCHEMBL4419442

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(Cc3ccc(-n4ccnc4)cc3)CC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
MTOR P42345 2/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
LSS P48449 1/20 0.40
S1PR1 P21453 1/20 0.39
PRKAA2 P54646 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 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
SCHEMBL4412368 0.90 MAPT (0.53) HTTL3MBTL1MAPTMTORKMT2A
SCHEMBL4423905 0.88 HTT (0.60) HTTL3MBTL1MAPTMTORKMT2A
SCHEMBL4417594 0.85 L3MBTL1 (0.48) HTTL3MBTL1MAPTMTORKMT2A
SCHEMBL4419448 0.85 NOS2 (0.42) HTTL3MBTL1MAPTMTORCYP2C9
SCHEMBL2170675 0.85 L3MBTL1 (0.52) HTTL3MBTL1MAPTMTORKMT2A
SCHEMBL4421036 0.84 HTT (0.48) HTTL3MBTL1MAPTMTORKMT2A
SCHEMBL4417580 0.83 HTT (0.52) HTTL3MBTL1MAPTMTORKMT2A
SCHEMBL4414909 0.83 HIF1A (0.54) HTTL3MBTL1MAPTKMT2ANPC1
SCHEMBL4415454 0.83 HTT (0.48) HTTL3MBTL1MAPTMTORKMT2A
SCHEMBL4415238 0.82 HIF1A (0.52) HTTL3MBTL1MAPTMTORKMT2A

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 HTT 1090/4885L3MBTL1 1416/4885MAPT 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.