Sugi Predict

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SCHEMBL13054292

SCHEMBL13054292

CN(C)CCN(C)c1nc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.64
▸ MCHR2 Q969V1 3/20 0.64
▸ HTR2C P28335 3/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ ADRA2C P18825 1/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ HRH2 P25021 1/20 0.57
▸ HTR1B P28222 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HRH1 P35367 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ ANO1 Q5XXA6 1/20 0.53
▸ CETP P11597 4/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TP53 P04637 2/20 0.51
▸ LMNA P02545 2/20 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
Hydrochloric Acid SCHEMBL3749992 0.99 MCHR1 (0.63) MCHR1MCHR2HTR2CCHRM2ADRA2A
SCHEMBL5910509 0.81 MCHR1 (0.79) MCHR1MCHR2HTR2CCHRM2ADRA2A
SCHEMBL5910929 0.80 MCHR1 (0.73) MCHR1MCHR2HTR2CCHRM2ADRA2A
SCHEMBL13054281 0.79 MAPT (0.54) MCHR1TP53LMNARXFP1POLB
SCHEMBL4643855 0.78 AGPAT2 (0.45) MCHR1MCHR2CETPRXFP1MAPT
Hydrochloric Acid SCHEMBL5249492 0.78 MAPT (0.53) MCHR1TP53LMNARXFP1POLB
SCHEMBL5910434 0.78 MCHR1 (1.00) MCHR1MCHR2HTR2CCHRM2ADRA2A
SCHEMBL2607722 0.78 CETP (0.78) CETPTP53LMNARXFP1CEPT1
SCHEMBL5910235 0.77 MCHR1 (0.82) MCHR1MCHR2HTR2CCHRM2ADRA2A
SCHEMBL13182119 0.77 KDM4E (0.78) CETPLMNACEPT1POLBMAPT

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-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

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 1/4885MCHR2 2/4885HTR2C 185/4885

“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.