SCHEMBL13054237

SCHEMBL13054237

CN1CCC(CN(C)c2nc3ccc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)cc3s2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HTR1F P30939 9/20 0.48
HTR1A P08908 7/20 0.48
HTR1B P28222 5/20 0.48
HTR1D P28221 5/20 0.48
MCHR1 Q99705 3/20 0.47
TP53 P04637 4/20 0.46
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HTR2C P28335 2/20 0.45
LMNA P02545 2/20 0.43

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
SCHEMBL13054186 0.91 POLB (0.48) POLBHTR1FHTR1AHTR1BHTR1D
SCHEMBL5248978 0.91 POLB (0.46) POLBHTR1FHTR1AHTR1BHTR1D
SCHEMBL13054184 0.91 POLB (0.46) POLBHTR1FHTR1AHTR1BHTR1D
SCHEMBL4641189 0.88 CHRM3 (0.41) POLBTP53MAPTTHRBLMNA
SCHEMBL3744423 0.87 MCHR1 (0.45) POLBMCHR1TP53MAPTTHRB
SCHEMBL13054240 0.87 HTR1F (0.49) POLBHTR1FHTR1AHTR1BHTR1D
SCHEMBL13054180 0.85 MCHR1 (0.47) POLBMCHR1TP53MAPTTHRB
SCHEMBL13054193 0.85 POLB (0.48) POLBHTR1FHTR1AHTR1BHTR1D
SCHEMBL5248402 0.85 HTR1F (0.52) POLBHTR1FHTR1AHTR1BHTR1D
SCHEMBL3743861 0.84 MCHR1 (0.45) POLBMCHR1MAPT

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 POLB 4496/4885HTR1F 99/4885HTR1A 60/4885

“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.