SCHEMBL3947713

SCHEMBL3947713

CN(C)c1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.69
NPY5R Q15761 10/20 0.69
MCHR1 Q99705 10/20 0.62
VCP P55072 8/20 0.51

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
SCHEMBL8897909 0.89 NPY5R (0.55) ADRA2ANPY5RMCHR1VCP
SCHEMBL3938652 0.85 NPY5R (0.72) ADRA2ANPY5RMCHR1
SCHEMBL3946322 0.85 NPY5R (0.72) ADRA2ANPY5RMCHR1
SCHEMBL3946319 0.85 NPY5R (0.72) ADRA2ANPY5RMCHR1
SCHEMBL3938655 0.85 NPY5R (0.72) ADRA2ANPY5RMCHR1
SCHEMBL3947114 0.85 NPY5R (0.72) ADRA2ANPY5RMCHR1
SCHEMBL2636279 0.84 NPY5R (0.61) ADRA2ANPY5RMCHR1VCP
SCHEMBL14606978 0.84 ADRA2A (0.73) ADRA2ANPY5RMCHR1
SCHEMBL14020724 0.84 ADRA2A (0.73) ADRA2ANPY5RMCHR1
SCHEMBL14606597 0.84 ADRA2A (0.73) ADRA2ANPY5RMCHR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed
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
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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 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 (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.