SCHEMBL3941125

SCHEMBL3941125

CNc1nc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.56
APP P05067 4/20 0.51
BCHE P06276 4/20 0.51
ACHE P22303 4/20 0.51
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
WHR1 P49842 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 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
SCHEMBL3941128 1.00 NPY5R (0.56) NPY5RAPPBCHEACHEADRA2A
SCHEMBL14599452 0.89 NPY5R (0.52) NPY5RAPPBCHEACHEADRA2A
SCHEMBL3947716 0.86 MCHR1 (0.58) NPY5RADRA2AMCHR1
SCHEMBL3947714 0.86 MCHR1 (0.58) NPY5RADRA2AMCHR1
SCHEMBL6630745 0.85 CFD (0.45) NPY5RAPPBCHEACHEACACB
SCHEMBL6463065 0.84 NPY5R (0.41) NPY5RMCHR1
SCHEMBL6463063 0.84 NPY5R (0.41) NPY5RMCHR1
SCHEMBL6457102 0.82 ACACB (0.43) NPY5RACACBACACA
SCHEMBL6457109 0.82 ACACB (0.43) NPY5RACACBACACA
SCHEMBL13794051 0.80 APP (0.45) NPY5RAPPBCHEACHEADRA2A

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 NPY5R 11/4885APP 3921/4885BCHE 2164/4885

“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.