SCHEMBL7790323

SCHEMBL7790323

O=C(O)CC1CCC(CCC(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HIF1A Q16665 1/20 0.52
ITGB3 P05106 11/20 0.52
ITGA2B P08514 11/20 0.52
MMP2 P08253 1/20 0.49
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 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
SCHEMBL7790326 0.93 ITGB3 (0.55) MAPTALDH1A1KDM4EHIF1AITGB3
SCHEMBL7787501 0.91 ITGB3 (0.57) MAPTALDH1A1KDM4EHIF1AITGB3
SCHEMBL7790344 0.90 ITGB3 (0.60) MAPTALDH1A1ITGB3ITGA2BMMP2
SCHEMBL7787414 0.90 ITGB3 (0.56) ALDH1A1KDM4EITGB3ITGA2BMMP2
SCHEMBL7790352 0.88 ITGB3 (0.60) MAPTALDH1A1KDM4EITGB3ITGA2B
SCHEMBL7787428 0.88 ITGB3 (0.60) MAPTITGB3ITGA2BMMP2LMNA
SCHEMBL7790314 0.87 ALDH1A1 (0.47) MAPTALDH1A1KDM4EHIF1AITGB3
SCHEMBL7791914 0.87 ITGB3 (0.61) MAPTITGB3ITGA2BMMP2LMNA
SCHEMBL7790309 0.86 ITGB3 (0.57) MAPTALDH1A1KDM4EHIF1AITGB3
SCHEMBL7782702 0.83 HTR7 (0.57) 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 MAPT 4871/4885ALDH1A1 1585/4885KDM4E 2387/4885

“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.