SCHEMBL4858101

SCHEMBL4858101

O=C(CCBr)NC1Cc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
MTNR1A P48039 5/20 0.57
MTNR1B P49286 5/20 0.57
GRM7 Q14831 4/20 0.56
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
IDO1 P14902 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL27731471 0.86 MAPT (0.63) MAPTMTNR1AMTNR1BGRM7HRH3
SCHEMBL10421952 0.84 MAPT (0.71) MAPTMTNR1AMTNR1BGRM7HRH3
SCHEMBL10804933 0.83 MAPT (0.69) MAPTMTNR1AMTNR1BGRM7HRH3
SCHEMBL1193095 0.80 MAPT (0.91) MAPTMTNR1AMTNR1BGRM7HRH3
SCHEMBL1628829 0.79 MAPT (0.63) MAPTMTNR1AMTNR1BGRM7HRH3
SCHEMBL4865313 0.79 MTNR1A (0.79) MAPTMTNR1AMTNR1BGRM7HRH3
SCHEMBL6359193 0.79 MTNR1A (0.79) MAPTMTNR1AMTNR1BGRM7HRH3
SCHEMBL1193533 0.78 MAPT (0.70) MAPTMTNR1AMTNR1BGRM7HRH3
Hydrochloric Acid SCHEMBL11568569 0.77 MAPT (0.61) MAPTMTNR1AMTNR1BGRM7HRH3
Hydrochloric Acid SCHEMBL15483948 0.77 MAPT (0.61) MAPTMTNR1AMTNR1BGRM7HRH3

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 7 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
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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 (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 MAPT 4833/4885MTNR1A 1715/4885MTNR1B 690/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPT 4829/4885MTNR1A 1937/4885MTNR1B 778/4885

“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.