SCHEMBL5247640

SCHEMBL5247640

CN(C)CCN(C)c1nc2ccc(NC(=O)c3ccc(-c4ccc(OC(F)(F)F)cc4Cl)cc3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.54
HPSE Q9Y251 1/20 0.45
CTSD P07339 1/20 0.44
ABL1 P00519 3/20 0.43
TRPV1 Q8NER1 2/20 0.42
TMPRSS15 P98073 1/20 0.41
DYRK1A Q13627 1/20 0.41
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4641377 0.91 MCHR1 (0.45) MCHR1CTSDTMPRSS15DYRK1ACACNA1H
SCHEMBL5243981 0.91 MAPT (0.47) MCHR1HPSECTSD
SCHEMBL13054253 0.90 TRPV1 (0.48) MCHR1TRPV1TMPRSS15
SCHEMBL5246435 0.90 MCHR1 (0.54) MCHR1HPSETRPV1CACNA1HCACNA1B
Hydrochloric Acid SCHEMBL5246954 0.89 TRPV1 (0.47) MCHR1TRPV1TMPRSS15
SCHEMBL13054249 0.89 MAPT (0.49) MCHR1CTSDABL1
Hydrochloric Acid SCHEMBL5248366 0.88 MAPT (0.48) MCHR1CTSDABL1
SCHEMBL5244294 0.87 MCHR1 (0.47) MCHR1
SCHEMBL5246157 0.87 MCHR1 (0.47) MCHR1TRPV1
SCHEMBL13054279 0.86 MCHR1 (0.48) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed
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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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 (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 MCHR1 1/4885HPSE 3887/4885CTSD 4301/4885

“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.