SCHEMBL13054078

SCHEMBL13054078

CN(C)[C@@H]1CCN(c2nc3ccc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)cc3s2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.54
POLB P06746 1/20 0.48
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTR2C P28335 2/20 0.45
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL13054098 0.92 MCHR1 (0.65) MCHR1TP53MAPTSMN1; SMN2NPC1
SCHEMBL13054118 0.84 APP (0.47) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL14100012 0.83 SMN1; SMN2 (0.62) MCHR1POLBTP53MAPTTHRB
SCHEMBL13054090 0.83 MAPT (0.46) MCHR1TP53MAPTNPC1RAB9A
SCHEMBL13054240 0.80 HTR1F (0.49) MCHR1POLBTP53MAPTTHRB
SCHEMBL13054117 0.80 MCHR1 (0.48) MCHR1TP53MAPTSMN1; SMN2NPC1
SCHEMBL5248402 0.80 HTR1F (0.52) MCHR1POLBTP53MAPTTHRB
SCHEMBL12529230 0.79 MCHR1 (0.82) MCHR1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL13054083 0.79 MAPT (0.55) MCHR1TP53MAPTTHRBSMN1; SMN2
SCHEMBL13054099 0.79 MCHR1 (0.47) MCHR1TP53MAPTSMN1; SMN2NPC1

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 4 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

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 1/4885POLB 4496/4885TP53 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.