Sugi Predict

Sugi Predict / Compounds / SCHEMBL5778930

SCHEMBL5778930

SCHEMBL5778930

[CH2]CCOCc1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.58
▸ IDO1 P14902 2/20 0.58
▸ AGXT P21549 2/20 0.58
▸ TACR1 P25103 2/20 0.49
▸ MAOB P27338 3/20 0.49
▸ PNMT P11086 2/20 0.48
▸ HTR3E A5X5Y0 2/20 0.46
▸ HTR3B O95264 2/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HTR3D Q70Z44 2/20 0.46
▸ HTR3C Q8WXA8 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ HCAR2 Q8TDS4 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
SCHEMBL423396 0.86 CYP3A4 (0.60) CYP3A4IDO1AGXTTACR1MAOB
SCHEMBL10866481 0.86 CYP3A4 (0.69) CYP3A4IDO1AGXTTACR1MAOB
SCHEMBL2092063 0.85 TAAR1 (0.52) CYP3A4IDO1AGXTMAOBPNMT
SCHEMBL15023834 0.83 CYP3A4 (0.61) CYP3A4IDO1AGXTTACR1MAOB
SCHEMBL10848713 0.83 CYP3A4 (0.56) CYP3A4IDO1AGXTTACR1MAOB
SCHEMBL10457908 0.83 CYP3A4 (0.56) CYP3A4IDO1AGXTTACR1MAOB
SCHEMBL5978191 0.82 IDO1 (0.50) CYP3A4IDO1AGXTTACR1
SCHEMBL22519891 0.81 CYP3A4 (0.55) CYP3A4IDO1AGXTTACR1MAOB
SCHEMBL27045093 0.81 CYP3A4 (0.55) CYP3A4IDO1AGXTTACR1MAOB
SCHEMBL28404628 0.81 CYP3A4 (0.69) CYP3A4IDO1AGXTMAOBPNMT

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 CYP3A4 2949/4885IDO1 4079/4885AGXT 3314/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP3A4 1308/4885IDO1 4197/4885AGXT 1962/4885

“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.