SCHEMBL7790329

SCHEMBL7790329

O=C(O)CC1CCN(C(=O)CCCCC(=O)N2CCN(c3ccnnc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP2 P08253 1/20 0.40
HIF1A Q16665 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL7790836 0.95 ITGB3 (0.46) MAPTLMNANPSR1ITGB3ITGA2B
SCHEMBL7790314 0.89 ALDH1A1 (0.47) MAPTLMNANPSR1ITGB3ITGA2B
SCHEMBL7787452 0.88 KDM4E (0.46) MAPTLMNANPSR1ITGB3ITGA2B
SCHEMBL7790305 0.88 ITGB3 (0.47) ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL7787428 0.87 ITGB3 (0.60) MAPTLMNANPSR1ITGB3ITGA2B
SCHEMBL7791914 0.86 ITGB3 (0.61) MAPTLMNANPSR1ITGB3ITGA2B
SCHEMBL7790352 0.85 ITGB3 (0.60) MAPTLMNANPSR1ITGB3ITGA2B
SCHEMBL7787422 0.82 TDP1 (0.49) MAPTITGB3ITGA2BALDH1A1TSHR
SCHEMBL7790344 0.82 ITGB3 (0.60) MAPTLMNANPSR1ITGB3ITGA2B
SCHEMBL7790824 0.81 SLC6A4 (0.43) ITGB3ITGA2BHTR1AHTR7

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 MAPT 4871/4885LMNA 557/4885NPSR1 548/4885

“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.