SCHEMBL4723582

SCHEMBL4723582

CCCCNC1COCCO1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
BCHE P06276 2/20 0.33
FUCA1 P04066 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 0.30
ACHE P22303 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
SCHEMBL4764033 0.88 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM3
SCHEMBL22204398 0.83
SCHEMBL4722819 0.79
SCHEMBL5630270 0.77
SCHEMBL11754182 0.76 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM3
SCHEMBL1817046 0.75 GBA1 (0.47) FUCA1ALDH1A1EPHX1GNAI3GNAO1
SCHEMBL28894417 0.75 GBA1 (0.47) FUCA1ALDH1A1EPHX1GNAI3GNAO1
SCHEMBL14841478 0.75 GBA1 (0.47) FUCA1ALDH1A1EPHX1GNAI3GNAO1
SCHEMBL2318225 0.75 GBA1 (0.47) FUCA1ALDH1A1EPHX1GNAI3GNAO1
SCHEMBL10756150 0.74 GBA1 (0.45) FUCA1ALDH1A1EPHX1GNAI3GNAO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097771-A1 EPOXY MOLDING COMPOUND OF MODIFIED SILICON DIOXIDE GRAFTED EPOXY RESIN, AND PREPARATION METHOD THEREFOR 中国科学院深圳先进技术研究院 2023-06-08 WO disclosed
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 HTT 2486/4885BCHE 3103/4885FUCA1 4369/4885

“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.