SCHEMBL5778583

SCHEMBL5778583

COc1cnc2c[c]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.43
ALDH1A1 P00352 1/20 0.42
F2 P00734 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
EGFR P00533 3/20 0.40
NQO1 P15559 1/20 0.39
PDGFRB P09619 7/20 0.39
PDGFRA P16234 7/20 0.39
NCF1 P14598 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL1492717 0.86 ALDH1A1 (0.45) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3802754 0.77 CYP1A2 (0.55) ALDH1A1CYP1A2
SCHEMBL621584 0.74 CYP1A2 (0.57) ALDH1A1F2GLAHPGDEGFR
SCHEMBL27645235 0.74 HSP90AA1 (0.40) ALDH1A1HPGDCYP1A2
SCHEMBL28808959 0.74 HPGDS (0.65) HPGDSALDH1A1F2GLAHPGD
SCHEMBL194247 0.74 KDM4E (0.58) HPGDSALDH1A1HPGDNQO1PDGFRB
SCHEMBL5547724 0.73 ALOX15 (0.48) HPGDSALDH1A1HTT
SCHEMBL5777247 0.73 PDGFRB (0.34) PDGFRBPDGFRANPC1RAB9ACYP2C9
SCHEMBL5779540 0.73 PDGFRB (0.33) PDGFRBPDGFRA
SCHEMBL22502032 0.73 DYRK1A (0.36) ALDH1A1HTTNPSR1

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-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO 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 HPGDS 578/4885ALDH1A1 921/4885F2 4616/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 HPGDS 279/4885ALDH1A1 1486/4885F2 3253/4885

“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.