SCHEMBL4723504

SCHEMBL4723504

CCCC(CC)Nc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
SIGMAR1 Q99720 1/20 0.33
IDO1 P14902 1/20 0.33
CACNA2D1 P54289 3/20 0.31
KCNH2 Q12809 1/20 0.31
AOC3 Q16853 1/20 0.30
DRD2 P14416 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
SCHEMBL4719824 0.93 CACNA2D1 (0.35) TAS1R3TAS1R1SIGMAR1CACNA2D1KCNH2
SCHEMBL4722442 0.89 IDO1 (0.40) IDO1
SCHEMBL4767457 0.81 SMN1; SMN2 (0.40) SIGMAR1AOC3
SCHEMBL4722357 0.77 ALDH1A1 (0.47) SIGMAR1
SCHEMBL4722927 0.75 TLR8 (0.35) TAS1R3TAS1R1CACNA2D1KCNH2
SCHEMBL3123957 0.72
SCHEMBL4720116 0.72 TAS1R3 (0.31) TAS1R3TAS1R1SIGMAR1
SCHEMBL7771804 0.72 ADH1B (0.41) IDO1CACNA2D1
SCHEMBL10889654 0.72 TDP1 (0.46) SIGMAR1IDO1CACNA2D1KCNH2AOC3
SCHEMBL700215 0.71 TDP1 (0.44) IDO1

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 TAS1R3 1368/4885TAS1R1 2138/4885SIGMAR1 1026/4885

“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.