SCHEMBL7790326

SCHEMBL7790326

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 11/20 0.55
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRM1 P11229 1/20 0.48
MMP2 P08253 1/20 0.47
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL7787501 0.95 ITGB3 (0.57) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7790323 0.93 MAPT (0.52) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7790352 0.91 ITGB3 (0.60) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7787428 0.91 ITGB3 (0.60) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7791914 0.89 ITGB3 (0.61) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7790344 0.88 ITGB3 (0.60) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7787414 0.88 ITGB3 (0.56) ITGB3ITGA2BMMP2KDM4EALDH1A1
SCHEMBL8776336 0.85 ITGB3 (0.50) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7787442 0.84 HTR1A (0.55) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL7788394 0.84 ITGB3 (0.55) ITGB3ITGA2BMAPTLMNANPSR1

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 3 patents. 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
EP-0808311-A2 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-11-26 EP disclosed
WO-1996024581-A2 DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-08-15 WO 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 3222/4885MAPT 4871/4885

“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.