SCHEMBL3753699

SCHEMBL3753699

CN(C)CCN(C)c1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.58
HTR2C P28335 3/20 0.50
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
MAPT P10636 1/20 0.46
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
WNT3A P56704 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL3752279 0.91 MCHR1 (0.57) MCHR1MAPTTP53
SCHEMBL5247267 0.90 MCHR1 (0.54) MCHR1HTR2CPTPN1MAPTTP53
SCHEMBL5249842 0.88 MCHR1 (0.58) MCHR1MAPTTP53RXFP1
SCHEMBL13054226 0.85 MAPT (0.51) MCHR1HTR2CMAPTCTNNB1TCF7L2
SCHEMBL5247985 0.83 MCHR1 (0.51) MCHR1HTR2CMAPTTP53RXFP1
SCHEMBL5247759 0.82 TP53 (0.51) MCHR1HTR2CPTPN1MAPTTP53
SCHEMBL13054151 0.82 MAPT (0.51) MCHR1HTR2CPTPN1MAPTCTNNB1
SCHEMBL5244294 0.82 MCHR1 (0.47) MCHR1MAPTTP53RXFP1POLB
SCHEMBL5248395 0.82 MCHR1 (0.64) MCHR1MAPTTP53POLB
SCHEMBL13054220 0.81 ESRRG (0.50) MCHR1PTPN11MAPTTP53

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 8 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-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
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
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 CN 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 1/4885HTR2C 185/4885PTPN1 812/4885

“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.