SCHEMBL3940588

SCHEMBL3940588

CNc1nc(NC2CCC(CN)CC2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.58
ACHE P22303 5/20 0.58
APP P05067 4/20 0.58
NPY5R Q15761 11/20 0.57
WHR1 P49842 1/20 0.54
MERTK Q12866 2/20 0.47
ACP1 P24666 1/20 0.45

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
SCHEMBL3949263 1.00 BCHE (0.58) BCHEACHEAPPNPY5RWHR1
SCHEMBL8908629 0.86 NPY5R (0.71) BCHEACHEAPPNPY5RWHR1
SCHEMBL3948477 0.86 APP (0.59) BCHEACHEAPPNPY5RWHR1
SCHEMBL13793836 0.86 APP (0.52) BCHEACHEAPPNPY5RWHR1
SCHEMBL13793109 0.86 APP (0.52) BCHEACHEAPPNPY5RWHR1
Hydrochloric Acid SCHEMBL8896605 0.85 NPY5R (0.70) BCHEACHEAPPNPY5RWHR1
Hydrochloric Acid SCHEMBL8900289 0.85 NPY5R (0.70) BCHEACHEAPPNPY5RWHR1
SCHEMBL8889922 0.85 NPY5R (0.49) BCHEACHEAPPNPY5R
SCHEMBL8900899 0.83 NPY5R (0.61) BCHEACHEAPPNPY5RWHR1
Hydrochloric Acid SCHEMBL8901980 0.82 NPY5R (0.60) BCHEACHEAPPNPY5RWHR1

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 BCHE 2164/4885ACHE 3900/4885APP 3921/4885

“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.