SCHEMBL3948477

SCHEMBL3948477

CNc1nc(NC2CCC(N)CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.59
BCHE P06276 4/20 0.59
ACHE P22303 4/20 0.59
WHR1 P49842 1/20 0.57
NPY5R Q15761 5/20 0.55
MERTK Q12866 5/20 0.50
ACP1 P24666 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 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 0.86 BCHE (0.58) APPBCHEACHEWHR1NPY5R
SCHEMBL3940588 0.86 BCHE (0.58) APPBCHEACHEWHR1NPY5R
SCHEMBL13793907 0.85 APP (0.52) APPBCHEACHEWHR1NPY5R
SCHEMBL13793576 0.85 APP (0.52) APPBCHEACHEWHR1NPY5R
SCHEMBL3939325 0.80 MCHR1 (0.61) APPBCHEACHENPY5R
SCHEMBL3939323 0.80 MCHR1 (0.61) APPBCHEACHENPY5R
Hydrochloric Acid SCHEMBL3943726 0.79 MCHR1 (0.60) APPBCHEACHENPY5R
SCHEMBL3943751 0.77 APP (0.48) APPBCHEACHEWHR1NPY5R
SCHEMBL3943754 0.77 APP (0.48) APPBCHEACHEWHR1NPY5R
SCHEMBL3942516 0.77 NPY5R (0.53) APPBCHEACHEWHR1NPY5R

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

“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.