SCHEMBL13793681

SCHEMBL13793681

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 14/20 0.64
▸ ADRA2A P08913 13/20 0.61
▸ HTR1A P08908 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ PLK1 P53350 1/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TNFSF11 O14788 1/20 0.45
▸ HTR3A P46098 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
SCHEMBL13793906 0.90 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6874888 0.88 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6874892 0.88 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6867835 0.84 PLK1 (0.50) MCHR1ADRA2APLK1MEN1KMT2A
SCHEMBL6867842 0.84 PLK1 (0.50) MCHR1ADRA2APLK1MEN1KMT2A
SCHEMBL6876862 0.84 PLK1 (0.50) MCHR1ADRA2APLK1MEN1KMT2A
SCHEMBL6876863 0.84 PLK1 (0.50) MCHR1ADRA2APLK1MEN1KMT2A
SCHEMBL13795767 0.82 MCHR1 (0.52) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13792947 0.82 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13796133 0.81 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1

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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R MCHR1 1/4885ADRA2A 131/4885HTR1A 34/4885

“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.

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