SCHEMBL4721729

SCHEMBL4721729

CCCC(CC)Nc1[c]c2c(cc1)-c1ccccc1C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4724519 0.95 NPC1 (0.36) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4723526 0.92 NPC1 (0.35) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4723421 0.86 NPC1 (0.35) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4721786 0.83 CYP3A4 (0.35) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4719922 0.79 MALT1 (0.35) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4723288 0.77 NPC1 (0.38) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4724574 0.76 NPC1 (0.37) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4765499 0.75 ALDH1A1 (0.40) NPC1RAB9ACYP1A2
SCHEMBL4723782 0.74 ALDH1A1 (0.37) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL2957703 0.72 CYP1A2 (0.37) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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 NPC1 3867/4885RAB9A 2943/4885CYP1A2 427/4885

“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.