SCHEMBL13054136

SCHEMBL13054136

CN(C)[C@@H]1CCN(c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 9/20 0.48
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
MCHR1 Q99705 7/20 0.43
MAPT P10636 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KCNH2 Q12809 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
SCHEMBL13054086 0.98 CA12 (0.48) HPSECA12CA9MCHR1MAPT
SCHEMBL3746088 0.98 CA12 (0.48) HPSECA12CA9MCHR1MAPT
SCHEMBL3746093 0.98 CA12 (0.48) HPSECA12CA9MCHR1MAPT
SCHEMBL3748583 0.90 CA12 (0.51) CA12CA9MCHR1TRPV1KCNH2
SCHEMBL13054134 0.90 CA12 (0.51) CA12CA9MCHR1TRPV1KCNH2
SCHEMBL3748582 0.90 CA12 (0.51) CA12CA9MCHR1TRPV1KCNH2
SCHEMBL13054135 0.88 MAPT (0.52) HPSECA12CA9MCHR1MAPT
SCHEMBL3751091 0.88 MAPT (0.52) HPSECA12CA9MCHR1MAPT
SCHEMBL3751094 0.88 MAPT (0.52) HPSECA12CA9MCHR1MAPT
SCHEMBL13054083 0.86 MAPT (0.55) MCHR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HPSE 3887/4885CA12 4668/4885CA9 4072/4885

“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.