SCHEMBL6719956

SCHEMBL6719956

COC(=O)CCN1CCCc2c[c]ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM2 P08172 14/20 0.46
CHRM4 P08173 14/20 0.46
CHRM1 P11229 14/20 0.46
CHRM3 P20309 13/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NOTUM Q6P988 1/20 0.41

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
SCHEMBL6716466 0.90 REN (0.48) RENCYP3A4CHRM2CHRM4CHRM1
SCHEMBL6234280 0.87 ALDH1A1 (0.44) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL21248553 0.82 CHRM2 (0.65) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL27192643 0.81 MEN1 (0.43) RENCYP3A4CHRM2CHRM4CHRM1
SCHEMBL6713240 0.80 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL6720083 0.80 CYP3A4 (0.46) RENCYP3A4CHRM2CHRM4CHRM1
SCHEMBL6719484 0.79 REN (0.46) RENCYP3A4CHRM2CHRM4CHRM1
SCHEMBL6238530 0.79 NOTUM (0.40) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL2090062 0.78 MEN1 (0.60) CHRM2CHRM4CHRM1CHRM3NPC1
SCHEMBL6232164 0.78 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3MAPT

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 4 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
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 REN 1/4885CYP3A4 2949/4885CHRM2 4480/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 REN 1/4885CYP3A4 1308/4885CHRM2 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.