SCHEMBL13796641

SCHEMBL13796641

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(NCCO)c3ccccc3n2)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.57
▸ SLC6A4 P31645 2/20 0.57
▸ ADRA2A P08913 4/20 0.54
▸ MCHR1 Q99705 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ AQP1 P29972 2/20 0.54
▸ ALDH1A1 P00352 2/20 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
▸ GBA1 P04062 1/20 0.53
▸ TAAR1 Q96RJ0 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RAD52 P43351 2/20 0.47
▸ PGK1 P00558 1/20 0.47
▸ GAA P10253 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
SCHEMBL13796334 0.93 NPY5R (0.64) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13796748 0.91 NPY5R (0.72) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13796446 0.90 NPY5R (0.60) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13795940 0.88 NPY5R (0.71) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13796787 0.88 NPY5R (0.52) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13796630 0.88 NPY5R (0.59) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13795925 0.87 NPY5R (0.57) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13796628 0.87 NPY5R (0.55) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13796627 0.86 NPY5R (0.60) NPY5RSLC6A4ADRA2AMCHR1MAPT
SCHEMBL13796952 0.85 NPY5R (0.66) NPY5RSLC6A4ADRA2AMCHR1MAPT

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 73/4885ADRA2A 131/4885

“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.

Send feedback