SCHEMBL5779495

SCHEMBL5779495

CC[CH]OCc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
AGXT P21549 2/20 0.53
APP P05067 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
MAOB P27338 1/20 0.46
CALM1 P0DP23 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LTA4H P09960 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL10887896 0.85 IDO1 (0.50) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL9982766 0.84 SMN1; SMN2 (0.57) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL28350385 0.82 IDO1 (0.52) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL7189732 0.79 IDO1 (0.57) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL6234066 0.78 IDO1 (0.59) IDO1AGXTMAOBTAAR1
SCHEMBL2245603 0.78 IDO1 (0.55) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL28140650 0.78 IDO1 (0.55) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL917734 0.78 SMN1; SMN2 (0.59) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL6232832 0.78 IDO1 (0.48) IDO1AGXTAPPMAOBTAAR1
SCHEMBL6342 0.78 IDO1 (0.55) IDO1AGXTAPPSMN1; SMN2ALDH1A1

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 9 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
US-4598155-A 3(5-tetrazolyl)1,4-diaminoanthraquinones CIBA-GEIGY CORPORATION (US) 1986-07-01 US disclosed
EP-0079862-B1 1,4-DIAMINO-ANTHRAQUINONE COMPOUNDS CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed
EP-0079862-A2 1,4-Diamino-anthraquinone compounds CIBA-GEIGY AG (CH) 1983-05-25 EP 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 IDO1 4079/4885AGXT 3314/4885APP 1730/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885AGXT 1962/4885APP 1385/4885

“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.