SCHEMBL3756123

SCHEMBL3756123

CN(C)CCN(C)c1nc2ccc(NC(=O)/C=C\c3ccc(C(F)(F)F)cc3)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.56
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD1 P21728 1/20 0.53
HRH2 P25021 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL13054127 1.00 MCHR1 (0.56) MCHR1CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL3756126 1.00 MCHR1 (0.56) MCHR1CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL3758684 0.91 MCHR1 (0.57) MCHR1CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL13054123 0.91 MCHR1 (0.57) MCHR1CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL3758688 0.91 MCHR1 (0.57) MCHR1CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL3748157 0.88 MCHR1 (0.57) MCHR1
SCHEMBL3748160 0.88 MCHR1 (0.57) MCHR1
SCHEMBL13054129 0.88 MCHR1 (0.57) MCHR1
SCHEMBL3743875 0.85 MCHR1 (0.51) MCHR1CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL3743879 0.85 MCHR1 (0.51) MCHR1CHRM2ADRA2ACHRM1ADRA2B

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-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-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 1/4885CHRM2 91/4885ADRA2A 88/4885

“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.