SCHEMBL4724846

SCHEMBL4724846

CCOC1(c2ccccc2)CCC[N]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.39
OPRK1 P41145 5/20 0.39
OPRD1 P41143 4/20 0.39
OPRL1 P41146 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A4 P31645 3/20 0.33
SLC22A1 O15245 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL4720350 0.95 OPRM1 (0.38) OPRM1OPRK1OPRD1OPRL1SMN1; SMN2
SCHEMBL4721421 0.87 OPRM1 (0.42) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL4764173 0.84 CYP2C9 (0.40) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL4720768 0.83 OPRM1 (0.41) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL4722980 0.81 OPRM1 (0.35) OPRM1OPRK1OPRD1OPRL1SLC6A4
SCHEMBL4723203 0.80 CYP2C9 (0.39) OPRM1OPRK1OPRD1OPRL1DRD3
SCHEMBL4720537 0.78 HTR1A (0.36) OPRM1OPRK1OPRD1OPRL1SMN1; SMN2
SCHEMBL4724570 0.77 SLC6A3 (0.46) SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL4765489 0.76 OPRM1 (0.34) OPRM1OPRK1OPRD1OPRL1SMN1; SMN2
SCHEMBL4722907 0.76 OPRM1 (0.38) OPRM1OPRK1OPRD1OPRL1SMN1; SMN2

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 1608/4885OPRK1 1055/4885OPRD1 776/4885

“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.