SCHEMBL4722558

SCHEMBL4722558

CCCN(CCC)c1ccn[c]n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.38
KCNA5 P22460 2/20 0.32
CYP2D6 P10635 1/20 0.32
KCNE1 P15382 1/20 0.32
HTT P42858 1/20 0.31
MAP3K5 Q99683 1/20 0.31
AR P10275 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
KCNH2 Q12809 1/20 0.30
AOC3 Q16853 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
SCHEMBL4763808 0.93 HCAR3 (0.34) HCAR3HTT
SCHEMBL4720137 0.92 CYP2D6 (0.33) HCAR3KCNA5CYP2D6KCNE1
SCHEMBL4724804 0.89 LMNA (0.35) HTT
SCHEMBL4723694 0.86 GBA1 (0.37)
SCHEMBL4722993 0.82 HCAR3 (0.39) HCAR3KCNA5CYP2D6KCNE1AOC3
SCHEMBL4724811 0.82 MAPT (0.35) HTT
SCHEMBL15415594 0.81 CYP2D6 (0.30) KCNA5CYP2D6KCNE1
SCHEMBL2068294 0.76 HRH3 (0.33)
SCHEMBL4723754 0.76 HRH3 (0.38) HCAR3AR
SCHEMBL15415671 0.75 HRH3 (0.35) CYP2D6KCNH2

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 HCAR3 537/4885KCNA5 1290/4885CYP2D6 112/4885

“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.