SCHEMBL6232832

SCHEMBL6232832

CC[CH]OCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
MAOB P27338 5/20 0.40
APP P05067 1/20 0.40
CCR5 P51681 2/20 0.40
TACR2 P21452 1/20 0.40
MAOA P21397 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL10887507 0.84 IDO1 (0.45) IDO1AGXTMAOBAPPCCR5
SCHEMBL6236934 0.79 IDO1 (0.53) IDO1NPC1RAB9ATAAR1
SCHEMBL287942 0.78 TSHR (0.48) IDO1AGXTMAOBSLC6A2SLC6A3
SCHEMBL3352453 0.78 IDO1 (0.52) IDO1AGXTMAOBAPPCCR5
SCHEMBL5779495 0.78 IDO1 (0.53) IDO1AGXTMAOBAPPNPC1
SCHEMBL5778928 0.77 CYP3A4 (0.55) IDO1AGXTMAOBMAOATAAR1
SCHEMBL8817 0.74 IDO1 (0.52) IDO1AGXTMAOBAPPTACR2
SCHEMBL26313534 0.73 IDO1 (0.47) IDO1AGXTMAOBAPPCCR5
SCHEMBL2655920 0.71 IDO1 (0.54) IDO1AGXTMAOBAPPTACR2
SCHEMBL10793621 0.71 KCNH2 (0.39) IDO1AGXTTACR2KMT2ATAAR1

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 7 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
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 3314/4885MAOB 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.