SCHEMBL13795833

SCHEMBL13795833

COc1ccc(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)nc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 5/20 0.52
▸ SLC6A4 P31645 2/20 0.52
▸ APP P05067 8/20 0.49
▸ BCHE P06276 8/20 0.49
▸ ACHE P22303 8/20 0.49
▸ MRGPRX1 Q96LB2 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ AQP1 P29972 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MERTK Q12866 1/20 0.46
▸ EHMT2 Q96KQ7 1/20 0.45
▸ DNMT3A Q9Y6K1 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
SCHEMBL13796342 0.95 NPY5R (0.57) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13796090 0.94 NPY5R (0.51) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13796330 0.94 MRGPRX1 (0.58) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13796077 0.94 NPY5R (0.50) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13795622 0.93 NPY5R (0.64) NPY5RSLC6A4APPBCHEACHE
SCHEMBL14606892 0.92 MRGPRX1 (0.51) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13795703 0.92 MRGPRX1 (0.51) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13796427 0.90 NPY5R (0.62) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13795588 0.90 NPY5R (0.48) NPY5RSLC6A4APPBCHEACHE
SCHEMBL13796315 0.89 NPY5R (0.52) NPY5RSLC6A4APPBCHEACHE

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 2 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-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 NPY5R 11/4885SLC6A4 73/4885APP 3921/4885

“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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