SCHEMBL4417470

SCHEMBL4417470

CCc1ccc(CN2CC3C(CNC(=O)c4ccc(N5CCCCC5)cc4)C3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL4417472 0.81 MAPT (0.44) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL4412087 0.81 MAPT (0.57) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL4412120 0.77 USP30 (0.51) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL4425263 0.76 PARP1 (0.42) OPRM1OPRD1OPRK1MAPTALDH1A1
SCHEMBL6508926 0.75 CACNA1H (0.38) OPRM1OPRD1OPRK1MAPTALDH1A1
SCHEMBL4418919 0.75 MAPT (0.53) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL6705914 0.73 MCHR1 (0.72) ALDH1A1KMT2AMEN1CYP2D6HDAC6
SCHEMBL5512182 0.72 CCR2 (0.55) MCHR1
SCHEMBL4425012 0.72 ALDH1A1 (0.53) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL4431006 0.72 RAB9A (0.48) MAPTALDH1A1MAPK1TDP1NPC1

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 6 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

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 OPRM1 262/4885OPRD1 194/4885OPRK1 225/4885

“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.