SCHEMBL3938818

SCHEMBL3938818

CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 18/20 0.82
▸ MCHR1 Q99705 18/20 0.82
▸ NPY5R Q15761 17/20 0.82
▸ AQP1 P29972 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL3938814 1.00 ADRA2A (0.82) ADRA2AMCHR1NPY5RAQP1ALDH1A1
SCHEMBL13796899 0.93 MCHR1 (0.71) ADRA2AMCHR1NPY5RAQP1ALDH1A1
SCHEMBL13793618 0.92 ADRA2A (0.83) ADRA2AMCHR1NPY5R
SCHEMBL13796934 0.92 MCHR1 (0.70) ADRA2AMCHR1NPY5RAQP1ALDH1A1
SCHEMBL14020743 0.91 MCHR1 (0.84) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL6604770 0.91 ADRA2A (0.81) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL6604773 0.91 ADRA2A (0.81) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL3941816 0.91 ADRA2A (0.81) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL3941818 0.91 ADRA2A (0.81) ADRA2AMCHR1NPY5R
SCHEMBL13792937 0.90 MCHR1 (0.83) ADRA2AMCHR1NPY5R

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 6 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-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
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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