SCHEMBL6719684

SCHEMBL6719684

CC(=O)NCCN1CCCc2ccc(O)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.61
REN P00797 3/20 0.57
CYP3A4 P08684 3/20 0.57
CHRM2 P08172 3/20 0.56
CHRM4 P08173 2/20 0.56
MTNR1A P48039 2/20 0.45
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
RORC P51449 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL10564578 0.87 CYP3A4 (0.57) TRPV1RENCYP3A4CHRM2CHRM4
SCHEMBL8302626 0.84 HDAC1 (0.54) TRPV1RENCYP3A4MTNR1ARORC
SCHEMBL10559940 0.83 ALDH1A1 (0.58) TRPV1CYP3A4CHRM2CHRM4MTNR1A
SCHEMBL6728768 0.80 TRPV1 (0.49) TRPV1RENCYP3A4MTNR1AALDH1A1
SCHEMBL6717277 0.80 CHRM2 (0.56) TRPV1RENCYP3A4CHRM2CHRM4
SCHEMBL6721571 0.80 REN (0.57) TRPV1RENCYP3A4CHRM2CHRM4
SCHEMBL12598196 0.79 MTNR1A (0.53) TRPV1RENCYP3A4MTNR1AALDH1A1
SCHEMBL6713047 0.79 CYP3A4 (0.48) TRPV1RENCYP3A4CHRM2CHRM4
SCHEMBL6721735 0.77 MTNR1A (0.46) TRPV1RENCYP3A4CHRM2CHRM4
SCHEMBL4503966 0.76 CHRM2 (0.58) TRPV1CHRM2CHRM4ALDH1A1GAA

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 TRPV1 2008/4885REN 1/4885CYP3A4 1308/4885

“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.