SCHEMBL7790838

SCHEMBL7790838

O=C(O)CC1(O)CCC(CCCCCCC(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.58
ITGA2B P08514 15/20 0.58
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 1/20 0.47
CHRM1 P11229 1/20 0.43
ESR1 P03372 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL7790324 1.00 ITGB3 (0.58) ITGB3ITGA2BLMNAMAPTNPSR1
SCHEMBL7788394 0.96 ITGB3 (0.55) ITGB3ITGA2BLMNAMAPTNPSR1
SCHEMBL7791932 0.92 ITGB3 (0.52) ITGB3ITGA2BMAPTMMP2
SCHEMBL7790343 0.88 ITGB3 (0.69) ITGB3ITGA2BLMNAMAPTNPSR1
SCHEMBL7791952 0.86 DRD4 (0.47) ITGB3ITGA2B
SCHEMBL7790806 0.86 DRD4 (0.47) ITGB3ITGA2B
SCHEMBL7787513 0.85 ITGB3 (0.49) ITGB3ITGA2BMMP2
SCHEMBL7787501 0.84 ITGB3 (0.57) ITGB3ITGA2BLMNAMAPTNPSR1
SCHEMBL7782696 0.83 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7788442 0.82 ITGB3 (0.55) ITGB3ITGA2BLMNAMAPTNPSR1

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 3222/4885LMNA 557/4885

“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.