SCHEMBL3749079

SCHEMBL3749079

CN1CCC(CN(C)c2nc3cc(NC(=O)c4ccc(Oc5ccccc5)cc4)ccc3o2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
MAPT P10636 9/20 0.44
RXFP1 Q9HBX9 4/20 0.44
THRB P10828 2/20 0.43
FLT3 P36888 1/20 0.43
TP53 P04637 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DGAT1 O75907 1/20 0.42
IL6 P05231 1/20 0.42
STAT3 P40763 1/20 0.42
PTGS2 P35354 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
SCHEMBL3753843 0.94 MAPT (0.48) MAPTRXFP1THRBTP53HDAC6
Hydrochloric Acid SCHEMBL3754000 0.93 MAPT (0.47) MAPTRXFP1THRBTP53HDAC6
SCHEMBL5290458 0.85 MAPT (0.52) MCHR1MAPTTHRBTP53
SCHEMBL3748623 0.85 MCHR1 (0.50) MCHR1MAPTTHRBHDAC6
SCHEMBL5296148 0.82 FLT3 (0.45) MCHR1MAPTRXFP1THRBFLT3
SCHEMBL5244477 0.82 MAPT (0.47) MCHR1MAPTRXFP1THRBTP53
SCHEMBL3754747 0.81 MCHR1 (0.63) MCHR1MAPTRXFP1THRBTP53
SCHEMBL14099937 0.81 HTR1F (0.37) MCHR1MAPTRXFP1THRBTP53
SCHEMBL3748607 0.79 MCHR1 (0.49) MCHR1MAPTTP53
SCHEMBL3746171 0.79 MAPT (0.51) MAPTRXFP1THRBFLT3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP 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-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
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 1/4885MAPT 1507/4885RXFP1 20/4885

“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.