SCHEMBL555819

SCHEMBL555819

CC(=O)C#Cc1ccccc1CCNC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.54
MTNR1B P49286 11/20 0.54
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.43
NQO2 P16083 3/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 1/20 0.41
F13A1 P00488 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
SCHEMBL533834 0.86 MTNR1A (0.59) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL534744 0.82 MTNR1A (0.51) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL5988458 0.75 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8229644 0.75 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8851523 0.74 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL1011062 0.74 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL18607400 0.74 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL5987986 0.74 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL1039416 0.74 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL557041 0.74 FFAR1 (0.37) MTNR1AMTNR1BKMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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 (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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 MTNR1A 2293/4885MTNR1B 1285/4885MEN1 4385/4885

“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.