SCHEMBL4723458

SCHEMBL4723458

COC1(c2cccc3ccccc23)CCCC[N]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A2 P23975 6/20 0.47
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4765686 0.95 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4724130 0.86 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4723127 0.83 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4722937 0.81 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2NPSR1GAA
SCHEMBL4724570 0.81 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4722969 0.79 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4720972 0.77 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4765357 0.77 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4721787 0.77 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL4721684 0.77 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2NPSR1GAA

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 SLC6A3 2115/4885SLC6A4 533/4885SLC6A2 3030/4885

“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.