SCHEMBL6720083

SCHEMBL6720083

CC(=O)NCCN1CCCc2c[c]ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
REN P00797 1/20 0.46
MTNR1A P48039 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6713047 0.90 CYP3A4 (0.48) CYP3A4RENMTNR1ATRPV1ALDH1A1
SCHEMBL10559940 0.82 ALDH1A1 (0.58) CYP3A4MTNR1ATRPV1ALDH1A1GAA
SCHEMBL6719956 0.80 REN (0.46) CYP3A4RENCHRM2CHRM4CHRM1
SCHEMBL6713240 0.80 CHRM2 (0.39) TRPV1ALDH1A1GAAKDM4ECHRM2
SCHEMBL6715173 0.79 MEN1 (0.47) MTNR1AGAACHRM2CHRM4CHRM1
SCHEMBL2090062 0.78 MEN1 (0.60) ALDH1A1GAAKDM4ECHRM2CHRM4
SCHEMBL6234280 0.77 ALDH1A1 (0.44) ALDH1A1GAAKDM4ECHRM2CHRM4
SCHEMBL10564578 0.76 CYP3A4 (0.57) CYP3A4RENMTNR1ATRPV1ALDH1A1
SCHEMBL6719684 0.76 TRPV1 (0.61) CYP3A4RENMTNR1ATRPV1ALDH1A1
SCHEMBL28477103 0.76 MEN1 (0.50) CYP3A4RENALDH1A1GAAKDM4E

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
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 CYP3A4 2949/4885REN 1/4885MTNR1A 2822/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP3A4 1308/4885REN 1/4885MTNR1A 3189/4885

“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.