SCHEMBL13793450

SCHEMBL13793450

COc1ccc2[nH]c(C)c(CC(=O)NC[C@H]3CC[C@@H](Nc4nc(N(C)C)c5ccccc5n4)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 15/20 0.53
▸ MCHR1 Q99705 15/20 0.53
▸ NPY5R Q15761 6/20 0.50
▸ AKR1C2 P52895 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42

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
SCHEMBL13793469 0.92 MCHR1 (0.61) ADRA2AMCHR1NPY5RAKR1C2HTR1A
SCHEMBL13795435 0.87 ADRA2A (0.53) ADRA2AMCHR1NPY5RHTR1AADRA1A
SCHEMBL13793428 0.84 MCHR1 (0.59) ADRA2AMCHR1NPY5RHTR1AADRA1A
SCHEMBL13794780 0.84 MCHR1 (0.58) ADRA2AMCHR1NPY5RHTR1AADRA1A
SCHEMBL13793296 0.83 MCHR1 (0.57) ADRA2AMCHR1NPY5RHTR1AADRA1A
SCHEMBL13797071 0.83 MCHR1 (0.59) ADRA2AMCHR1NPY5RHTR1AADRA1A
SCHEMBL13793938 0.83 MCHR1 (0.66) ADRA2AMCHR1NPY5RHTR1AADRA1A
SCHEMBL6878054 0.83 EIF2AK2 (0.49) MCHR1AKR1C2HDAC1MTNR1AMTNR1B
SCHEMBL6878048 0.83 EIF2AK2 (0.49) MCHR1AKR1C2HDAC1MTNR1AMTNR1B
SCHEMBL13795784 0.83 MCHR1 (0.54) ADRA2AMCHR1NPY5RHTR1AADRA1A

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 ADRA2A 131/4885MCHR1 1/4885NPY5R 11/4885

“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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