SCHEMBL4722937

SCHEMBL4722937

CCCCOC1(c2cccc3ccccc23)CCCC[N]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 6/20 0.44
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1B P28222 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR1D P28221 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4721684 0.96 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2GAATDP1
SCHEMBL4723127 0.92 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2GAAHTR1B
SCHEMBL4722969 0.88 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2GAATDP1
SCHEMBL4724130 0.87 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2GAAHTR1B
SCHEMBL4724570 0.83 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2HTR1BNPSR1
SCHEMBL4765736 0.82 L3MBTL1 (0.36) SLC6A3SLC6A4SLC6A2GAATDP1
SCHEMBL4720437 0.82 L3MBTL1 (0.36) SLC6A3SLC6A4SLC6A2GAATDP1
SCHEMBL4722873 0.82 L3MBTL1 (0.38) SLC6A3SLC6A4SLC6A2GAATDP1
SCHEMBL4723458 0.81 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2GAANPSR1
SCHEMBL4723203 0.80 CYP2C9 (0.39) SLC6A4SLC6A2TDP1L3MBTL1CYP2C9

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.