SCHEMBL5779191

SCHEMBL5779191

NC(=O)Cc1ccc2cc[c]cc2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.32
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5801074 0.87 CYP1A2 (0.39) CYP1A2HTTCA2LMNAALDH1A1
SCHEMBL29877127 0.76 CYP1A2 (0.63) CYP1A2LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL5503169 0.76 CYP1A2 (0.63) CYP1A2LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL15516376 0.75 PIM1 (0.41) LMNAALDH1A1RAB9A
SCHEMBL5778362 0.74
SCHEMBL5779915 0.73 HTT (0.33) CYP1A2HTTALDH1A1RAB9AL3MBTL1
SCHEMBL31434387 0.72 CYP1A2 (0.47) CYP1A2HTTLMNAALDH1A1RAB9A
SCHEMBL14610937 0.71 CCR1 (0.52) CYP1A2HTTCA2LMNAALDH1A1
SCHEMBL15515476 0.69 MGAM (0.56) CYP1A2LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL2565679 0.69 MAOB (0.43) HTTLMNAALDH1A1RAB9A

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 CYP1A2 2821/4885HTT 2348/4885CA2 1763/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP1A2 1354/4885HTT 4243/4885CA2 952/4885

“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.