SCHEMBL4720137

SCHEMBL4720137

CCCN(CC)c1ccn[c]n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNA5 P22460 1/20 0.33
HCAR3 P49019 1/20 0.33
GBA1 P04062 1/20 0.31

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
SCHEMBL4722558 0.92 HCAR3 (0.38) CYP2D6KCNE1KCNA5HCAR3
SCHEMBL4723694 0.90 GBA1 (0.37) GBA1
SCHEMBL4724811 0.89 MAPT (0.35)
SCHEMBL4763808 0.86 HCAR3 (0.34) HCAR3
SCHEMBL4724804 0.81 LMNA (0.35)
SCHEMBL4722993 0.79 HCAR3 (0.39) CYP2D6KCNE1KCNA5HCAR3
SCHEMBL15415594 0.78 CYP2D6 (0.30) CYP2D6KCNE1KCNA5
SCHEMBL2068294 0.77 HRH3 (0.33)
SCHEMBL15415797 0.76
SCHEMBL4723754 0.73 HRH3 (0.38) HCAR3

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 CYP2D6 112/4885KCNE1 2757/4885KCNA5 1290/4885

“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.