SCHEMBL4722980

SCHEMBL4722980

COC1(c2ccccc2)CCC[N]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.35
OPRL1 P41146 3/20 0.35
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 3/20 0.35
DPP4 P27487 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4721573 0.95 SLC6A4 (0.37) OPRM1OPRL1OPRK1SLC6A4SLC6A2
SCHEMBL4724846 0.81 OPRM1 (0.39) OPRM1OPRL1OPRK1OPRD1SLC6A4
SCHEMBL10430315 0.78 HTR2A (0.39) OPRM1SLC6A4
SCHEMBL4721421 0.78 OPRM1 (0.42) OPRM1OPRL1OPRK1OPRD1SLC6A4
SCHEMBL4720350 0.76 OPRM1 (0.38) OPRM1OPRL1OPRK1OPRD1SLC6A4
SCHEMBL4764173 0.76 CYP2C9 (0.40) OPRM1OPRL1OPRK1OPRD1SLC6A4
SCHEMBL1255254 0.74 HTR2A (0.41) OPRM1
SCHEMBL4722162 0.74 ALOX5 (0.34)
SCHEMBL4724299 0.74 BACE1 (0.31)
SCHEMBL4720768 0.74 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1SLC6A4

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 OPRM1 1608/4885OPRL1 753/4885OPRK1 1055/4885

“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.