SCHEMBL5779207

SCHEMBL5779207

NCc1ccc2c(c1)N(CC(N)=O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
SMAD3 P84022 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRM2 P08172 4/20 0.50
CHRM4 P08173 3/20 0.50
TSHR P16473 2/20 0.46
CHRM3 P20309 3/20 0.44
CHRM1 P11229 2/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL6719526 0.83 CHRM2 (0.71) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL4700798 0.78 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6716483 0.78 KMT2A (0.52) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6234711 0.77 KMT2A (0.68) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6232018 0.77 KDM4E (0.55) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL8981985 0.77 CHRM2 (0.67) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL17560529 0.74 CHRM2 (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL12656456 0.73 CHRM2 (0.70) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL12656515 0.73 HDAC1 (0.56) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL12656475 0.73 HDAC1 (0.57) ALDH1A1GAAMEN1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN ALDH1A1 921/4885GAA 292/4885MEN1 4236/4885

“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.