SCHEMBL5798017

SCHEMBL5798017

NC(=O)Cn1ccc2cc[c]cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 5/20 0.32
HSD17B10 Q99714 4/20 0.32
TSHR P16473 3/20 0.32
HPGD P15428 3/20 0.32
GLA P06280 2/20 0.32
HTT P42858 1/20 0.32
IDO1 P14902 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
APOBEC3A P31941 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5797648 0.87 LMNA (0.43) LMNAKMT2AALDH1A1L3MBTL1FAAH
SCHEMBL5775360 0.80 ATM (0.44) LMNAKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL5777278 0.78 MAPT (0.42) LMNAKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL29955957 0.76 KMT2A (0.71) LMNAKMT2AIDO1POLBNTSR1
SCHEMBL1519806 0.76 KMT2A (0.71) LMNAKMT2AIDO1POLBNTSR1
SCHEMBL1450339 0.75 CDK4 (0.41) LMNAKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL5442677 0.75 PARP1 (0.40) LMNAL3MBTL1TSHR
SCHEMBL2365253 0.74 CDK4 (0.35) KMT2AKDM4ECDK4CCND1
SCHEMBL3353214 0.72 LMNA (0.44) LMNAKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1660960 0.72 KMT2A (0.60) LMNAKMT2AALDH1A1NTSR1KMO

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 12 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 claimed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
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-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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 (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 LMNA 1866/4885KMT2A 3763/4885ALDH1A1 921/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 LMNA 2783/4885KMT2A 4042/4885ALDH1A1 1486/4885

“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.