SCHEMBL5776915

SCHEMBL5776915

CC(=O)OCCc1[c]cccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SLC18A3 Q16572 2/20 0.39
TSHR P16473 3/20 0.37
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6426083 0.85 ALDH1A1 (0.39) RAD52ALDH1A1SLC18A3TSHRSMN1; SMN2
SCHEMBL33450 0.84 THRB (0.44) RAD52ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL22400 0.82 ALDH1A1 (0.53) ALDH1A1SLC18A3TSHRSMN1; SMN2LMNA
SCHEMBL9324825 0.78 ALDH1A1 (0.41) RAD52ALDH1A1SLC18A3TSHRPTGS2
SCHEMBL198567 0.76 TSHR (0.37) ALDH1A1TSHR
SCHEMBL11285611 0.73 CYP4F2 (0.54) ALDH1A1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL1627421 0.73 SMN1; SMN2 (0.33) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL998675 0.72 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL667358 0.72 MTNR1A (0.47) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
SCHEMBL7565859 0.72 KDM4E (0.44) RAD52ALDH1A1SLC18A3PTGS2SMN1; SMN2

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 10 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 claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
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 4419/4885ALDH1A1 921/4885SLC18A3 1827/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 RAD52 4527/4885ALDH1A1 1486/4885SLC18A3 1746/4885

“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.