SCHEMBL6234066

SCHEMBL6234066

CC[CH]OCc1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
MAOB P27338 7/20 0.51
TAAR1 Q96RJ0 3/20 0.50
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
CMA1 P23946 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL1828440 0.81 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL5779495 0.78 IDO1 (0.53) IDO1AGXTMAOBTAAR1
SCHEMBL3768643 0.77 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL31264 0.77 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL5778928 0.77 CYP3A4 (0.55) IDO1AGXTMAOBTAAR1
SCHEMBL12093572 0.77 IDO1 (0.65) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL17218393 0.76 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL9945423 0.76 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL287942 0.75 TSHR (0.48) IDO1AGXTMAOB
SCHEMBL29908907 0.75 TAAR1 (0.62) IDO1AGXTMAOBTAAR1CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IDO1 4079/4885AGXT 3314/4885MAOB 1068/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885AGXT 1962/4885MAOB 1559/4885

“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.