SCHEMBL7787442

SCHEMBL7787442

O=C(O)CC1CCN(C(=O)CCCN2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
ITGB3 P05106 9/20 0.53
ITGA2B P08514 9/20 0.53
HRH3 Q9Y5N1 2/20 0.47
DRD4 P21917 1/20 0.47
SLC6A4 P31645 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CACNA1G O43497 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
Hydrochloric Acid SCHEMBL27470992 0.99 HTR1A (0.54) HTR1AHTR7ITGB3ITGA2BHRH3
SCHEMBL7790297 0.97 HTR1A (0.60) HTR1AHTR7ITGB3ITGA2BHRH3
SCHEMBL7782702 0.93 HTR7 (0.57) HTR1AHTR7ITGB3ITGA2B
Hydrochloric Acid SCHEMBL27470441 0.92 HTR7 (0.56) HTR1AHTR7ITGB3ITGA2B
SCHEMBL7787428 0.91 ITGB3 (0.60) HTR1AHTR7ITGB3ITGA2BLMNA
SCHEMBL7790352 0.91 ITGB3 (0.60) HTR1AHTR7ITGB3ITGA2BLMNA
SCHEMBL7791914 0.90 ITGB3 (0.61) HTR1AHTR7ITGB3ITGA2BLMNA
SCHEMBL7790344 0.88 ITGB3 (0.60) ITGB3ITGA2BLMNAMAPTNPSR1
SCHEMBL7393626 0.86 ITGB3 (0.57) ITGB3ITGA2BLMNAMAPTNPSR1
SCHEMBL7790326 0.84 ITGB3 (0.55) HTR1AHTR7ITGB3ITGA2BLMNA

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 HTR1A 471/4885HTR7 1343/4885ITGB3 1193/4885

“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.