SCHEMBL7790715

SCHEMBL7790715

O=C(O)CC1(O)CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.54
ITGA2B P08514 15/20 0.54
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL7791935 0.88 ITGB3 (0.47) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7790343 0.87 ITGB3 (0.69) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7788302 0.83 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL7787513 0.81 ITGB3 (0.49) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7399382 0.80 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7399380 0.80 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7791932 0.79 ITGB3 (0.52) ITGB3ITGA2BHIF1A
SCHEMBL7788361 0.78 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7788394 0.77 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7788333 0.76 DRD2 (0.51) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS TSAKLAKIDIS CHRISTOS (DE) 2001-07-26 US 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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS CYP4B1, NR4A1, CYP3A43 ITGB3 1193/4885ITGA2B 3222/4885CYP2C9 143/4885

“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.