SCHEMBL4865313

SCHEMBL4865313

O=C(CCl)NC1Cc2ccccc2C1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.79
MTNR1B P49286 6/20 0.79
GRM7 Q14831 3/20 0.64
MAPT P10636 1/20 0.63
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
IDO1 P14902 1/20 0.46
AHCY P23526 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRNA7 P36544 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL53322 0.89 MTNR1A (1.00) MTNR1AMTNR1BGRM7MAPTALDH1A1
SCHEMBL27731471 0.81 MAPT (0.63) MTNR1AMTNR1BGRM7MAPTNPC1
SCHEMBL1628829 0.81 MAPT (0.63) MTNR1AMTNR1BGRM7MAPTNPC1
SCHEMBL6359193 0.81 MTNR1A (0.79) MTNR1AMTNR1BGRM7MAPTHRH3
Hydrochloric Acid SCHEMBL15483948 0.80 MAPT (0.61) MTNR1AMTNR1BGRM7MAPTNPC1
Hydrochloric Acid SCHEMBL11568569 0.80 MAPT (0.61) MTNR1AMTNR1BGRM7MAPTNPC1
SCHEMBL10421952 0.80 MAPT (0.71) MTNR1AMTNR1BGRM7MAPTHRH3
SCHEMBL1576601 0.80 MTNR1A (0.54) MTNR1AMTNR1BGRM7MAPTNPC1
SCHEMBL10804933 0.79 MAPT (0.69) MTNR1AMTNR1BGRM7MAPTNPC1
SCHEMBL4858101 0.79 MAPT (0.69) MTNR1AMTNR1BGRM7MAPTNPC1

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-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MTNR1A 1715/4885MTNR1B 690/4885GRM7 4123/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MTNR1A 1937/4885MTNR1B 778/4885GRM7 4053/4885

“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.