SCHEMBL5777824

SCHEMBL5777824

CC(=O)NCCn1ccc2c[c]ccc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.66
MTNR1A P48039 10/20 0.57
MTNR1B P49286 9/20 0.57
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL5779603 0.89 MAPK1 (0.66) MAPK1MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL5780811 0.78 LMNA (0.41) MAPK1MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL5777899 0.78 MAPK1 (0.39) MAPK1MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL1661129 0.77 KMO (0.52) MAPK1HSD17B10LMNAKMT2AMAPT
SCHEMBL6717297 0.76 MAPK1 (0.68) MAPK1MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL694594 0.76 CDK4 (0.41) MAPK1MTNR1AMTNR1BLMNA
SCHEMBL1450476 0.76 CDK4 (0.41) MAPK1MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL1661107 0.74 KMO (0.43) LMNAKMT2A
SCHEMBL5777257 0.74 ATM (0.47) MAPK1MTNR1AMTNR1BSMN1; SMN2HSD17B10
SCHEMBL15632466 0.74 MAPK1 (0.64) MAPK1MTNR1AMTNR1BCYP1A2CYP3A4

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 10 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-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS 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
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
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 MAPK1 2456/4885MTNR1A 2822/4885MTNR1B 1434/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MAPK1 2207/4885MTNR1A 3189/4885MTNR1B 2041/4885

“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.