SCHEMBL13795176

SCHEMBL13795176

COc1cc(OC)c(OC)cc1CN[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.64
ADRA2A P08913 16/20 0.64
APP P05067 2/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
NPY5R Q15761 3/20 0.52
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL13793689 0.93 MCHR1 (0.63) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13795928 0.93 MCHR1 (0.65) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13794853 0.92 MCHR1 (0.58) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797468 0.92 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797398 0.92 MCHR1 (0.66) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13793388 0.90 MCHR1 (0.61) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL14606639 0.90 MCHR1 (0.66) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13793779 0.90 MCHR1 (0.66) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796032 0.90 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797262 0.89 ADRA2A (0.56) MCHR1ADRA2AAPPBCHEACHE

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 3 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

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 MCHR1 1/4885ADRA2A 131/4885APP 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.