SCHEMBL14606717

SCHEMBL14606717

COc1cccc(Nc2nc(NCC3CCC(CNS(=O)(=O)c4ccc(C)cc4)CC3)nc3ccccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 0.68
▸ SLC6A4 P31645 2/20 0.53
▸ PAK4 O96013 1/20 0.51
▸ PAK1 Q13153 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ ADRA2A P08913 2/20 0.47
▸ AQP1 P29972 2/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47

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
SCHEMBL13796660 1.00 NPY5R (0.68) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796758 0.95 NPY5R (0.60) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796759 0.93 NPY5R (0.58) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796343 0.93 NPY5R (0.58) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13795709 0.92 NPY5R (0.65) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796791 0.91 NPY5R (0.56) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796774 0.90 NPY5R (0.83) NPY5RSLC6A4MAPTALDH1A1HPGD
SCHEMBL13796365 0.90 NPY5R (0.54) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796662 0.89 NPY5R (0.71) NPY5RSLC6A4MAPTALDH1A1HPGD
SCHEMBL13796835 0.88 NPY5R (0.63) NPY5RSLC6A4PAK4PAK1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 73/4885PAK4 3728/4885

“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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