SCHEMBL6232687

SCHEMBL6232687

CCOC(=O)CN1CCCc2cc[c]cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 3/20 0.40
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6232164 0.90 CHRM2 (0.42) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL6233823 0.87 ALDH1A1 (0.44) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL5250240 0.82 CHRM2 (0.60) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL5800838 0.80 TSHR (0.47) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL4803576 0.79 NOTUM (0.45) NOTUMALDH1A1CHRM2CHRM3MAPT
SCHEMBL6715255 0.78 CHRM2 (0.39) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL6716466 0.78 REN (0.48) NOTUMCHRM2CHRM4CHRM1CHRM3
SCHEMBL6712019 0.78 LMNA (0.47) ALDH1A1L3MBTL1GAAMEN1KMT2A
SCHEMBL6234280 0.77 ALDH1A1 (0.44) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL9979483 0.76 CHRM2 (0.54) ALDH1A1CHRM2CHRM4CHRM1CHRM3

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 5 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
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 NOTUM 2570/4885ALDH1A1 921/4885CHRM2 4480/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 NOTUM 2361/4885ALDH1A1 1486/4885CHRM2 4588/4885

“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.