SCHEMBL6721735

SCHEMBL6721735

CC(=O)NCCN1C(=O)CCc2ccc(O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.46
MTNR1B P49286 5/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 2/20 0.41
CHRM1 P11229 3/20 0.40
KDM4E B2RXH2 2/20 0.39
F13A1 P00488 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
NQO2 P16083 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
IDO1 P14902 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
SCHEMBL8305774 0.84 CHRM1 (0.52) MTNR1AMTNR1BCHRM1NQO2
SCHEMBL6719893 0.80 XIAP (0.49) CHRM1
SCHEMBL6231492 0.80 MEN1 (0.44) MTNR1AMTNR1BMEN1KMT2ACHRM1
SCHEMBL6719684 0.77 TRPV1 (0.61) MTNR1AMTNR1BKMT2ATRPV1CHRM1
SCHEMBL6715173 0.77 MEN1 (0.47) MTNR1AMTNR1BMEN1KMT2ACHRM1
SCHEMBL6721642 0.76 LMNA (0.43) KMT2AMAPTTP53POLBCHRM2
SCHEMBL20257167 0.76 PBRM1 (0.43) CHRM1MAPTTP53POLBCHRM2
SCHEMBL6721467 0.75 GRIN1 (0.42) CHRM1CYP3A4CHRM2CHRM4HPGD
SCHEMBL5653475 0.75 DRD2 (0.41) CHRM1CHRM2CHRM4
SCHEMBL29846831 0.73 PBRM1 (0.46) TRPV1CYP3A4CHRM2CHRM4CYP1A2

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 MTNR1A 3189/4885MTNR1B 2041/4885MEN1 4599/4885

“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.