Sugi Predict

Sugi Predict / Compounds / SCHEMBL5777201

SCHEMBL5777201

SCHEMBL5777201

CC(=O)OCCc1ccc2c[c]ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.35
▸ PDE3B Q13370 3/20 0.35
▸ PDE3A Q14432 3/20 0.35
▸ P2RY12 Q9H244 3/20 0.35
▸ HTT P42858 1/20 0.33
▸ TKT P29401 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ 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
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ SIRT2 Q8IXJ6 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
SCHEMBL5779915 0.89 HTT (0.33) RAD52PDE3BPDE3AP2RY12HTT
SCHEMBL10980763 0.79 CYP1A2 (0.53) RAD52CYP1A2MEN1NPC1MAPT
SCHEMBL5778334 0.74 CYP1A2 (0.41) RAD52PDE3BPDE3AP2RY12CYP1A2
SCHEMBL6234805 0.74 CYP1A2 (0.38) RAD52CYP1A2NPC1MAPTRAB9A
SCHEMBL6233725 0.74 PDE10A (0.31) —
SCHEMBL19924496 0.73 CCR1 (0.47) CYP1A2CYSLTR1
SCHEMBL4675694 0.73 PARP1 (0.33) CYP1A2
SCHEMBL5801074 0.73 CYP1A2 (0.39) HTTCYP1A2NPC1RAB9AALDH1A1
SCHEMBL5777901 0.70 MTNR1A (0.41) RAD52PDE3BPDE3AP2RY12RAB9A
SCHEMBL6231133 0.70 MGAM (0.38) NPC1MAPTRAB9ASMN1; 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 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 RAD52 4419/4885PDE3B 204/4885PDE3A 138/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 RAD52 4527/4885PDE3B 226/4885PDE3A 115/4885

“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.