SCHEMBL4724739

SCHEMBL4724739

CCCOc1ccc(N2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 3/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
HTR2A P28223 1/20 0.59
SCN1A P35498 1/20 0.59
HTR2B P41595 1/20 0.59
KCNH2 Q12809 1/20 0.59
SCN2A Q99250 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
SCN3A Q9NY46 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 6/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PRKDC P78527 1/20 0.53

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
SCHEMBL4723804 0.93 ALDH1A1 (0.69) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL27859193 0.89 MAPK1 (0.63) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL8603615 0.89 MAPK1 (0.63) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL4720540 0.86 MAPT (0.59) ALDH1A1MAPK1LMNAMAPTPOLB
SCHEMBL4721424 0.86 HRH3 (0.63) ALDH1A1MAPK1KCNH2HRH3USP2
SCHEMBL15906526 0.85 MAPT (0.48) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL4720769 0.84 HRH3 (0.66) ALDH1A1MAPK1KCNH2HRH3USP2
Hydrochloric Acid SCHEMBL27915382 0.84 MAPT (0.57) ALDH1A1MAPK1USP2LMNAMAPT
SCHEMBL13481163 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL15947087 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1CYP1A2CHRM2CHRM1

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 ALDH1A1 622/4885MAPK1 3922/4885CYP1A2 427/4885

“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.