SCHEMBL7791908

SCHEMBL7791908

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

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.79
ITGA2B P08514 10/20 0.79
LSS P48449 2/20 0.58
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL6180151 0.83 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7782706 0.82 ITGB3 (0.59) ITGB3ITGA2BKMT2AMEN1LMNA
SCHEMBL7788456 0.82 ITGB3 (0.61) ITGB3ITGA2BLSSTDP1KMT2A
Hydrochloric Acid SCHEMBL7402499 0.82 ITGB3 (0.60) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8838028 0.82 ITGB3 (0.60) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9024492 0.81 ITGB3 (0.58) ITGB3ITGA2BLSSTDP1KMT2A
SCHEMBL26706322 0.81 ALDH1A1 (0.59) ITGB3ITGA2BLSSTDP1KMT2A
SCHEMBL7790309 0.81 ITGB3 (0.57) ITGB3ITGA2BKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL9023673 0.80 ITGB3 (0.60) ITGB3ITGA2BLSSTDP1KMT2A
SCHEMBL7788302 0.79 ITGB3 (0.67) ITGB3ITGA2BLSSTDP1

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 3222/4885LSS 2870/4885

“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.