SCHEMBL7787452

SCHEMBL7787452

O=C(O)CC1CCC(CC(=O)N2CCN(c3ccnnc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADAM10 O14672 7/20 0.44
ERBB2 P04626 7/20 0.44
MMP2 P08253 7/20 0.44
MMP9 P14780 4/20 0.44
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
NAMPT P43490 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL7790314 0.91 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10ITGB3ITGA2B
SCHEMBL7790836 0.90 ITGB3 (0.46) KDM4EALDH1A1HSD17B10ITGB3ITGA2B
SCHEMBL7787422 0.89 TDP1 (0.49) ALDH1A1HSD17B10ITGB3ITGA2BMAPT
SCHEMBL7790329 0.88 MAPT (0.50) KDM4EALDH1A1MMP2ITGB3ITGA2B
SCHEMBL7790305 0.88 ITGB3 (0.47) KDM4EALDH1A1HSD17B10ITGB3ITGA2B
SCHEMBL7787414 0.86 ITGB3 (0.56) KDM4EALDH1A1HSD17B10ADAM10ERBB2
SCHEMBL7790830 0.85 DRD2 (0.44) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL7790824 0.80 SLC6A4 (0.43) ITGB3ITGA2B
SCHEMBL28936913 0.78 ITGB3 (0.38) HSD17B10ITGB3ITGA2BFFAR4FFAR1
SCHEMBL7790323 0.77 MAPT (0.52) KDM4EALDH1A1MMP2ITGB3ITGA2B

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 KDM4E 2387/4885ALDH1A1 1585/4885HSD17B10 915/4885

“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.