SCHEMBL4036596

SCHEMBL4036596

O=C(CCl)NCCc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.69
PTPN1 P18031 1/20 0.53
NQO2 P16083 2/20 0.53
HPGD P15428 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
MTNR1B P49286 3/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL8065745 0.86 MTNR1A (0.68) MTNR1APTPN1NQO2
SCHEMBL6495378 0.84 MTNR1A (0.67) MTNR1APTPN1MTNR1B
SCHEMBL1567114 0.83 MTNR1A (0.73) MTNR1APTPN1NQO2TRPV1MTNR1B
SCHEMBL919206 0.83 MTNR1A (0.64) MTNR1APTPN1HPGDMTNR1BMEN1
SCHEMBL919204 0.83 MTNR1A (0.64) MTNR1APTPN1HPGDMTNR1BMEN1
SCHEMBL761446 0.82 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL5511489 0.82 MTNR1A (1.00) MTNR1ANQO2TRPV1MTNR1BMEN1
SCHEMBL29941181 0.82 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL9128038 0.82 MTNR1A (0.63) MTNR1APTPN1NQO2HPGDMTNR1B
SCHEMBL8858549 0.81 MTNR1A (0.61) MTNR1APTPN1HPGDTRPV1MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
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 1715/4885PTPN1 3163/4885NQO2 721/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MTNR1A 1937/4885PTPN1 2979/4885NQO2 842/4885

“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.