SCHEMBL3948422

SCHEMBL3948422

N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.61
ADRA2A P08913 10/20 0.61
NPY5R Q15761 10/20 0.61
ALPL P05186 2/20 0.49
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3948421 1.00 MCHR1 (0.61) MCHR1ADRA2ANPY5RALPLHSD17B1
SCHEMBL3006664 0.94 MCHR1 (0.66) MCHR1ADRA2ANPY5RALPLHSD17B1
SCHEMBL3027665 0.89 MCHR1 (0.61) MCHR1ADRA2ANPY5RALPL
SCHEMBL2197208 0.88 MCHR1 (0.61) MCHR1ADRA2ANPY5RALPLHSD17B1
SCHEMBL2197205 0.88 MCHR1 (0.61) MCHR1ADRA2ANPY5RALPLHSD17B1
SCHEMBL4736251 0.86 MCHR1 (0.58) MCHR1ADRA2ANPY5RALPLHSD17B1
SCHEMBL3947055 0.82 MCHR1 (0.54) MCHR1ADRA2ANPY5RALPLHSD17B1
SCHEMBL3947061 0.82 MCHR1 (0.54) MCHR1ADRA2ANPY5RALPLHSD17B1
SCHEMBL4734475 0.81 MCHR1 (0.54) MCHR1ADRA2ANPY5RALPLHSD17B1
Hydrochloric Acid SCHEMBL6602860 0.81 MCHR1 (0.53) MCHR1ADRA2ANPY5RALPLHSD17B1

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 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.