SCHEMBL13797261

SCHEMBL13797261

COc1cccc(CN[C@H]2CC[C@@H](CNc3nc(N(C)C)c4ccccc4n3)CC2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.55
NPY5R Q15761 12/20 0.55
MCHR1 Q99705 15/20 0.51
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13797257 0.93 ADRA2A (0.55) ADRA2ANPY5RMCHR1BCHEACHE
SCHEMBL13794879 0.89 MCHR1 (0.60) ADRA2ANPY5RMCHR1BCHEACHE
SCHEMBL13797262 0.88 ADRA2A (0.56) ADRA2ANPY5RMCHR1BCHEACHE
SCHEMBL13797263 0.87 ADRA2A (0.55) ADRA2ANPY5RMCHR1BCHEACHE
SCHEMBL13793390 0.86 MCHR1 (0.62) ADRA2ANPY5RMCHR1BCHEACHE
SCHEMBL13795816 0.86 MCHR1 (0.62) ADRA2ANPY5RMCHR1BCHEACHE
SCHEMBL13796614 0.86 ADRA2A (0.56) ADRA2ANPY5RMCHR1
SCHEMBL13797267 0.85 ADRA2A (0.54) ADRA2ANPY5RMCHR1BCHEACHE
SCHEMBL13797266 0.84 ADRA2A (0.62) ADRA2ANPY5RMCHR1
SCHEMBL13797269 0.83 ADRA2A (0.55) ADRA2ANPY5RMCHR1BCHEACHE

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 ADRA2A 131/4885NPY5R 11/4885MCHR1 1/4885

“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.