SCHEMBL13797429

SCHEMBL13797429

COc1ccc(CN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.68
ACHE P22303 6/20 0.68
APP P05067 4/20 0.68
MCHR1 Q99705 11/20 0.59
ADRA2A P08913 10/20 0.59
NPY5R Q15761 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL13795236 0.94 APP (0.60) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13793387 0.94 APP (0.60) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13794692 0.93 APP (0.59) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13797454 0.93 MCHR1 (0.59) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13797328 0.93 APP (0.58) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13796096 0.92 APP (0.57) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13797437 0.92 APP (0.57) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13796374 0.91 APP (0.57) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13795629 0.91 APP (0.69) BCHEACHEAPPMCHR1ADRA2A
SCHEMBL13793498 0.90 MCHR1 (0.59) BCHEACHEAPPMCHR1ADRA2A

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 BCHE 2164/4885ACHE 3900/4885APP 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.