Sugi Predict

Sugi Predict / Compounds / SCHEMBL5776009

SCHEMBL5776009

SCHEMBL5776009

CC(=O)c1ccc2cc[c]cc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.38
▸ CNR2 P34972 6/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL6231133 0.86 MGAM (0.38) MGAMCNR2HDAC8ALDH1A1GAA
SCHEMBL15515476 0.84 MGAM (0.56) MGAMCNR2HDAC8ALDH1A1GAA
SCHEMBL15516376 0.82 PIM1 (0.41) MGAMCNR2HDAC8ALDH1A1GAA
SCHEMBL4850106 0.81 MAPK1 (0.40) CNR2HDAC8ALDH1A1GAAMAPT
SCHEMBL29484748 0.73 MGAM (0.68) MGAMCNR2HDAC8ALDH1A1GAA
SCHEMBL29484746 0.73 MGAM (0.68) MGAMCNR2HDAC8ALDH1A1GAA
SCHEMBL403888 0.73 MGAM (0.68) MGAMCNR2HDAC8ALDH1A1GAA
SCHEMBL1450761 0.72 CYP1A2 (0.52) RAB9AKDM4EPOLBLMNA
Hydrochloric Acid SCHEMBL3199562 0.72 MGAM (0.66) MGAMCNR2HDAC8ALDH1A1GAA
SCHEMBL3282225 0.71 — —

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 6 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
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 — — US disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS 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 (2 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 MGAM 2941/4885CNR2 4299/4885HDAC8 1231/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MGAM 1948/4885CNR2 3269/4885HDAC8 832/4885

“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.