SCHEMBL3938377

SCHEMBL3938377

CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 19/20 1.00
▸ MCHR1 Q99705 19/20 1.00
▸ NPY5R Q15761 17/20 1.00

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
SCHEMBL3938380 1.00 ADRA2A (1.00) ADRA2AMCHR1NPY5R
SCHEMBL3941081 1.00 ADRA2A (1.00) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL3939654 0.99 MCHR1 (1.00) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL3939657 0.99 MCHR1 (1.00) ADRA2AMCHR1NPY5R
SCHEMBL13796199 0.93 MCHR1 (0.87) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL6612074 0.93 ADRA2A (0.88) ADRA2AMCHR1NPY5R
SCHEMBL3938807 0.92 MCHR1 (1.00) ADRA2AMCHR1NPY5R
SCHEMBL3937587 0.92 MCHR1 (1.00) ADRA2AMCHR1NPY5R
SCHEMBL3937588 0.92 MCHR1 (1.00) ADRA2AMCHR1NPY5R
SCHEMBL3947108 0.92 MCHR1 (1.00) ADRA2AMCHR1NPY5R

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 5 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-20080242861-A1 Synthesis of amino-protected cyclohexane-1,4-diyldimethanamine and its derivatives TAIGEN BIOTECHNOLOGY (TW) 2008-10-02 — — 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
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 — — EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 — — WO 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 (2 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-20080242861-A1 Synthesis of amino-protected cyclohexane-1,4-diyldimethanamine and its derivatives DDC, PNMT, DDT ADRA2A 294/4885MCHR1 1276/4885NPY5R 976/4885
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 131/4885MCHR1 1/4885NPY5R 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.

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