SCHEMBL7787422

SCHEMBL7787422

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
KMT2A Q03164 2/20 0.44
LSS P48449 1/20 0.42
MAPK10 P53779 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL7787452 0.89 KDM4E (0.46) ITGB3ITGA2BHSD17B10MAPTALDH1A1
SCHEMBL7788456 0.88 ITGB3 (0.61) TDP1ITGB3ITGA2BKMT2ALSS
SCHEMBL7790305 0.86 ITGB3 (0.47) ITGB3ITGA2BLSSHSD17B10ALDH1A1
SCHEMBL7790314 0.85 ALDH1A1 (0.47) ITGB3ITGA2BHSD17B10MAPTALDH1A1
SCHEMBL7790836 0.84 ITGB3 (0.46) ITGB3ITGA2BKMT2AHSD17B10MAPT
SCHEMBL7790830 0.84 DRD2 (0.44) ITGB3ITGA2B
SCHEMBL7790329 0.82 MAPT (0.50) ITGB3ITGA2BMAPTALDH1A1TSHR
SCHEMBL7790824 0.79 SLC6A4 (0.43) ITGB3ITGA2B
SCHEMBL28936913 0.77 ITGB3 (0.38) ITGB3ITGA2BHSD17B10
SCHEMBL7787414 0.74 ITGB3 (0.56) ITGB3ITGA2BHSD17B10ALDH1A1

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 TDP1 4241/4885ITGB3 1193/4885ITGA2B 3222/4885

“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.