Sugi Predict

Sugi Predict / Compounds / SCHEMBL5779915

SCHEMBL5779915

SCHEMBL5779915

CC(=O)OCCc1ccc2cc[c]cc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.33
▸ TKT P29401 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ CYSLTR2 Q9NS75 2/20 0.32
▸ CYSLTR1 Q9Y271 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5777201 0.89 RAD52 (0.35) HTTTKTPDE3BPDE3AP2RY12
SCHEMBL10980763 0.79 CYP1A2 (0.53) CYP1A2RAD52CYSLTR2CYSLTR1MEN1
SCHEMBL5778334 0.74 CYP1A2 (0.41) PDE3BPDE3AP2RY12CYP1A2RAD52
SCHEMBL6234805 0.74 CYP1A2 (0.38) CYP1A2RAD52NPC1MAPTRAB9A
SCHEMBL5779191 0.73 CYP1A2 (0.39) HTTCYP1A2RAB9AL3MBTL1ALDH1A1
SCHEMBL5776009 0.70 MGAM (0.38) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5775772 0.70 ALDH1A1 (0.41) RAD52NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5778362 0.70 — —
SCHEMBL5778938 0.69 MTNR1A (0.40) TKTPDE3BPDE3AP2RY12RAD52
SCHEMBL27680513 0.68 BACE1 (0.43) HTTTKTRAD52MAPTALDH1A1

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 HTT 2348/4885TKT 2666/4885PDE3B 204/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 HTT 4243/4885TKT 2621/4885PDE3B 226/4885

“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.