SCHEMBL13793602

SCHEMBL13793602

CNc1nc(N[C@H]2CC[C@@H](NCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.77
ADRA2A P08913 14/20 0.77
NPY5R Q15761 10/20 0.64
APP P05067 4/20 0.48
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
EPHX2 P34913 1/20 0.42

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
Hydrochloric Acid SCHEMBL3939780 0.99 MCHR1 (0.76) MCHR1ADRA2ANPY5RAPPBCHE
Hydrochloric Acid SCHEMBL3940807 0.99 MCHR1 (0.76) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13793613 0.92 MCHR1 (0.65) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13795818 0.92 MCHR1 (0.75) MCHR1ADRA2ANPY5RAPPBCHE
Hydrochloric Acid SCHEMBL3937283 0.91 MCHR1 (0.64) MCHR1ADRA2ANPY5RAPPBCHE
Hydrochloric Acid SCHEMBL3937279 0.91 MCHR1 (0.64) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13797620 0.91 MCHR1 (0.74) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13797626 0.91 MCHR1 (0.73) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13793170 0.90 MCHR1 (0.79) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13794003 0.90 MCHR1 (0.64) MCHR1ADRA2ANPY5RAPPBCHE

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 4 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
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 131/4885NPY5R 11/4885

“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.