SCHEMBL3758684

SCHEMBL3758684

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.57
HTR2C P28335 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
HRH2 P25021 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
MAOB P27338 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL3758688 1.00 MCHR1 (0.57) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL13054123 1.00 MCHR1 (0.57) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL3743875 0.94 MCHR1 (0.51) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL13054229 0.94 MCHR1 (0.51) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL3743879 0.94 MCHR1 (0.51) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL3756123 0.91 MCHR1 (0.56) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL13054127 0.91 MCHR1 (0.56) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL3756126 0.91 MCHR1 (0.56) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL3754637 0.84 MCHR1 (0.51) MCHR1HTR2CCHRM2ADRA2ACHRM1
SCHEMBL13054234 0.84 MCHR1 (0.51) MCHR1HTR2CCHRM2ADRA2ACHRM1

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 1/4885HTR2C 185/4885CHRM2 91/4885

“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.