SCHEMBL4723203

SCHEMBL4723203

CCCCOC1(c2ccccc2)CCCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
OPRM1 P35372 5/20 0.37
SLC6A4 P31645 2/20 0.37
DRD3 P35462 1/20 0.36
SLC6A2 P23975 1/20 0.36
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
OPRL1 P41146 3/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4764173 0.96 CYP2C9 (0.40) CYP2C9CYP2C19NPSR1ALDH1A1USP2
SCHEMBL4720768 0.91 OPRM1 (0.41) ALDH1A1OPRM1SLC6A4DRD3SLC6A2
SCHEMBL4721421 0.87 OPRM1 (0.42) ALDH1A1OPRM1SLC6A4DRD3SLC6A2
SCHEMBL4720350 0.85 OPRM1 (0.38) OPRM1SLC6A4DRD3SLC6A2OPRL1
SCHEMBL4724846 0.80 OPRM1 (0.39) OPRM1SLC6A4DRD3SLC6A2OPRL1
SCHEMBL4722937 0.80 SLC6A3 (0.44) CYP2C9CYP2C19NPSR1SLC6A4SLC6A2
SCHEMBL4723802 0.79 CYP2C9 (0.41) CYP2C9CYP2C19NPSR1ALDH1A1USP2
SCHEMBL4720226 0.78 CYP2C9 (0.38) CYP2C9CYP2C19NPSR1ALDH1A1USP2
SCHEMBL4723024 0.78 USP2 (0.40) CYP2C9CYP2C19NPSR1ALDH1A1USP2
SCHEMBL4721573 0.77 SLC6A4 (0.37) OPRM1SLC6A4SLC6A2OPRL1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 CYP2C9 303/4885CYP2C19 195/4885NPSR1 367/4885

“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.