SCHEMBL555808

SCHEMBL555808

CC(=O)NCCc1cccnc1Br

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.58
MTNR1B P49286 11/20 0.51
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5785695 0.86 MTNR1A (0.43) MTNR1AMEN1CYP1A2KMT2A
SCHEMBL533912 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8003452 0.78 IAPP (0.40) MTNR1AMEN1LMNACYP1A2TSHR
SCHEMBL29686650 0.77 MTNR1A (0.61) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL533866 0.77 MTNR1A (0.61) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL27620072 0.75 L3MBTL1 (0.44) MTNR1ALMNACYP1A2TSHR
SCHEMBL533955 0.75 MTNR1A (0.51) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL27450481 0.74 MTNR1A (1.00) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL19460839 0.73 KDM4E (0.46) LMNACYP1A2
SCHEMBL31627779 0.73 MTNR1A (0.53) MTNR1AMTNR1BMEN1LMNACYP1A2

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.