SCHEMBL4722162

SCHEMBL4722162

COC1(c2ccccc2)COCC[N]1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.34
HTR1A P08908 3/20 0.33
ADRA1D P25100 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 6/20 0.31
CHRM4 P08173 6/20 0.31
CHRM5 P08912 6/20 0.31
CHRM1 P11229 6/20 0.31
CHRM3 P20309 6/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 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
SCHEMBL4720537 0.84 HTR1A (0.36) HTR1AADRA1DSMN1; SMN2CHRM2CHRM4
SCHEMBL4724737 0.81 HTR1A (0.38) HTR1AADRA1DCHRM2CHRM4CHRM5
SCHEMBL4723802 0.79 CYP2C9 (0.41) HTR1AADRA1DSMN1; SMN2ALDH1A1
SCHEMBL4720972 0.76 SLC6A3 (0.36) ALOX5ALDH1A1
SCHEMBL4722980 0.74 OPRM1 (0.35)
SCHEMBL4721573 0.72 SLC6A4 (0.37)
SCHEMBL4724299 0.70 BACE1 (0.31) BACE1
SCHEMBL1255254 0.70 HTR2A (0.41) ALDH1A1
SCHEMBL10430315 0.68 HTR2A (0.39) SMN1; SMN2ALDH1A1
SCHEMBL31367105 0.66 HTR1A (0.43) ALOX5HTR1AADRA1DCHRM2CHRM4

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 ALOX5 245/4885HTR1A 93/4885ADRA1D 141/4885

“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.