SCHEMBL4720534

SCHEMBL4720534

CCOc1ccccc1[C]1CNCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 4/20 0.47
HTR2A P28223 4/20 0.47
ADRB2 P07550 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARG P37231 1/20 0.42
STAT3 P40763 1/20 0.42
NCOA2 Q15596 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTR2C P28335 5/20 0.41
MLNR O43193 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL4724735 0.89 PDE5A (0.40) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL4723800 0.87 CYP1A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL3173611 0.83 HTR7 (0.44) HTR2AHTR2BALDH1A1PPARGNCOA2
SCHEMBL4720802 0.77 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL10200293 0.76 HTR2A (0.39) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL4722338 0.76 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Hydrochloric Acid SCHEMBL11500444 0.72 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Trifluoroacetic Acid SCHEMBL3283426 0.71 SSTR4 (0.43) HTR2AALDH1A1HTR2CMAPTHPGD
SCHEMBL4719777 0.71 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL198911 0.71 ALDH1A1 (0.60) ALDH1A1KDM4EPPARGSTAT3NCOA2

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

“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.