SCHEMBL4911922

SCHEMBL4911922

CCCCO[C]1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 3/20 0.35
MAPK1 P28482 2/20 0.35
CHRM2 P08172 2/20 0.35
HTR2A P28223 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN2A Q99250 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 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
SCHEMBL4912202 0.89 CHRM2 (0.40) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2419662 0.81
SCHEMBL4922778 0.77
SCHEMBL4921513 0.76 MAPK1 (0.38) CHRM1ALDH1A1CYP1A2MAPK1CHRM2
SCHEMBL4922621 0.74 LTA4H (0.37) CHRM1ALDH1A1CYP1A2MAPK1CHRM2
SCHEMBL4915949 0.72
SCHEMBL4723800 0.71 CYP1A2 (0.46) CYP1A2HTR2AHTR2BCYP19A1CYP2C9
SCHEMBL965232 0.70
Hydrochloric Acid SCHEMBL2891095 0.70 TLR7 (0.36) CHRM1ALDH1A1CYP1A2MAPK1CHRM2
SCHEMBL1516253 0.69 ESR1 (0.43) ALDH1A1CYP1A2MAPK1LMNACYP2D6

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 CHRM1 234/4885ALDH1A1 849/4885CYP1A2 578/4885

“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.