SCHEMBL5801074

SCHEMBL5801074

NC(=O)Cc1ccc2c[c]ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CA2 P00918 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT1 P42224 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL5779191 0.87 CYP1A2 (0.39) CYP1A2CA2RAB9AALDH1A1L3MBTL1
SCHEMBL4679303 0.78
SCHEMBL19924496 0.78 CCR1 (0.47) CYP1A2
SCHEMBL5503169 0.76 CYP1A2 (0.63) CYP1A2RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL29877127 0.76 CYP1A2 (0.63) CYP1A2RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL3922658 0.75 PIM1 (0.41) RAB9AALDH1A1NFKB1NFKB2RELA
SCHEMBL31434423 0.74 NCK1 (0.50) CYP1A2RAB9AALDH1A1L3MBTL1HTT
SCHEMBL19941893 0.74 NCK1 (0.50) CYP1A2RAB9AALDH1A1L3MBTL1HTT
SCHEMBL5780870 0.74
SCHEMBL4675694 0.74 PARP1 (0.33) CYP1A2

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-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 CYP1A2 2821/4885CA2 1763/4885RAB9A 28/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP1A2 1354/4885CA2 952/4885RAB9A 554/4885

“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.