SCHEMBL4765357

SCHEMBL4765357

COC1(c2cccc3ccccc23)CNCC[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.39
SLC6A2 P23975 4/20 0.39
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
SLC6A4 P31645 5/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NISCH Q9Y2I1 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR6 P50406 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
NCF1 P14598 1/20 0.32

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
SCHEMBL4724790 0.85 SLC6A3 (0.36) SLC6A3SLC6A2ADRA2AADRA2BADRA2C
SCHEMBL4724348 0.83 SLC6A2 (0.35) SLC6A3SLC6A2ADRA2AADRA2BADRA2C
SCHEMBL4765736 0.81 L3MBTL1 (0.36) SLC6A3SLC6A2ADRA2AADRA2BADRA2C
SCHEMBL4765686 0.78 SLC6A3 (0.44) SLC6A3SLC6A2ADRA2AADRA2BADRA2C
SCHEMBL4723458 0.77 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL1255254 0.76 HTR2A (0.41) NPSR1HTR2A
SCHEMBL4720972 0.75 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL4721787 0.75 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL10430315 0.68 HTR2A (0.39) SLC6A4NISCHMAPK1CYP1A2CYP2D6
SCHEMBL4724570 0.68 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MEN1MAPT

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 2115/4885SLC6A2 3030/4885ADRA2A 130/4885

“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.