SCHEMBL6721571

SCHEMBL6721571

COC(=O)CCN1CCCc2ccc(O)cc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.57
CYP3A4 P08684 2/20 0.57
CHRM2 P08172 11/20 0.56
CHRM4 P08173 10/20 0.56
TRPV1 Q8NER1 1/20 0.53
CHRM1 P11229 9/20 0.46
CHRM3 P20309 9/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL6717399 0.92 MAPT (0.51) RENCYP3A4CHRM2CHRM4TRPV1
SCHEMBL7331989 0.84 AOC3 (0.47) RENCYP3A4CHRM2CHRM4TRPV1
SCHEMBL21248553 0.83 CHRM2 (0.65) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL23455373 0.82 MAPT (0.60) RENCYP3A4CHRM2CHRM4CHRM1
SCHEMBL6717411 0.81 HRH3 (0.50) RENCYP3A4CHRM2CHRM4CHRM1
SCHEMBL6684778 0.81 CHRM2 (0.52) RENCYP3A4CHRM2CHRM4TRPV1
SCHEMBL6721739 0.80 CHRM2 (0.54) RENCYP3A4CHRM2CHRM4TRPV1
SCHEMBL29452159 0.80 CHRM2 (0.51) RENCYP3A4CHRM2CHRM4TRPV1
SCHEMBL25279962 0.80 CHRM2 (0.51) RENCYP3A4CHRM2CHRM4TRPV1
SCHEMBL6717277 0.80 CHRM2 (0.56) RENCYP3A4CHRM2CHRM4TRPV1

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 2 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 disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO 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 (1 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-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.