SCHEMBL5246157

SCHEMBL5246157

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.47
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MCHR2 Q969V1 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
Hydrochloric Acid SCHEMBL5246146 0.99 KMT2A (0.46) MCHR1LMNATP53KMT2AMEN1
SCHEMBL13054269 0.94 MCHR1 (0.47) MCHR1LMNATP53KMT2AMEN1
SCHEMBL13054277 0.93 MCHR1 (0.51) MCHR1LMNATP53KMT2AMEN1
SCHEMBL13054279 0.92 MCHR1 (0.48) MCHR1LMNATP53KMT2AMEN1
Hydrochloric Acid SCHEMBL5244939 0.92 MCHR1 (0.50) MCHR1LMNATP53KMT2AMEN1
Hydrochloric Acid SCHEMBL5244742 0.91 MCHR1 (0.47) MCHR1LMNATP53KMT2AMEN1
SCHEMBL5244294 0.91 MCHR1 (0.47) MCHR1TP53KMT2AMEN1POLB
SCHEMBL5246435 0.91 MCHR1 (0.54) MCHR1TRPV1HTTSMN1; SMN2NPC1
SCHEMBL5245596 0.90 MCHR1 (0.51) MCHR1LMNATP53KMT2AMEN1
SCHEMBL5243981 0.90 MAPT (0.47) MCHR1LMNATP53KMT2AMEN1

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 7 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

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 1/4885LMNA 3624/4885TP53 4472/4885

“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.