SCHEMBL6233572

SCHEMBL6233572

CC(=O)OCCN1C(=O)CCc2cc[c]cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 1/20 0.36
DRD2 P14416 10/20 0.36
DRD4 P21917 10/20 0.36
DRD3 P35462 10/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
SLC18A3 Q16572 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
POLB P06746 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
SCHEMBL6235136 0.90 ALDH1A1 (0.38) ALDH1A1BRD4DRD2DRD4DRD3
SCHEMBL5393583 0.83 DRD2 (0.52) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6231492 0.80 MEN1 (0.44) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6234100 0.80 NOTUM (0.40) ALDH1A1DRD2DRD4DRD3CHRM2
SCHEMBL6715236 0.79 DRD2 (0.42) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6715255 0.79 CHRM2 (0.39) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6712019 0.79 LMNA (0.47) ALDH1A1POLB
SCHEMBL6720008 0.78 LMNA (0.43) ALDH1A1TP53MAPTPOLB
SCHEMBL5799928 0.78 MEN1 (0.45) ALDH1A1BRD4POLB
SCHEMBL6232112 0.77 DRD2 (0.47) DRD2DRD4DRD3CHRM2CHRM4

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
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
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
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 ALDH1A1 921/4885BRD4 439/4885DRD2 830/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 ALDH1A1 1486/4885BRD4 397/4885DRD2 2820/4885

“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.