SCHEMBL7782706

SCHEMBL7782706

O=C(O)CN1CCC(CC(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.59
ITGA2B P08514 9/20 0.59
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL7790309 0.88 ITGB3 (0.57) ITGB3ITGA2BALDH1A1MAPTMEN1
SCHEMBL7787414 0.87 ITGB3 (0.56) ITGB3ITGA2BALDH1A1KDM4EHSD17B10
SCHEMBL7121593 0.86 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7393626 0.85 ITGB3 (0.57) ITGB3ITGA2BALDH1A1MAPTMEN1
SCHEMBL7790339 0.85 ITGB3 (0.55) ITGB3ITGA2BMAPTLMNA
SCHEMBL7788442 0.84 ITGB3 (0.55) ITGB3ITGA2BMAPTLMNA
SCHEMBL7791908 0.82 ITGB3 (0.79) ITGB3ITGA2BMEN1LMNAKMT2A
SCHEMBL7790344 0.82 ITGB3 (0.60) ITGB3ITGA2BALDH1A1MAPTLMNA
SCHEMBL6180151 0.81 ITGB3 (0.61) ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7788399 0.81 MMP2 (0.49) ITGB3ITGA2BALDH1A1KDM4EHSD17B10

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 3222/4885ALDH1A1 1585/4885

“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.