SCHEMBL14606606

SCHEMBL14606606

CN(C)c1nc(C[C@H]2CC[C@@H](C)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.51
▸ ADRA2A P08913 2/20 0.46
▸ NPY5R Q15761 2/20 0.46
▸ CYP2D6 P10635 10/20 0.45
▸ CYP1A2 P05177 9/20 0.45
▸ TSHR P16473 6/20 0.45
▸ CYP2C19 P33261 5/20 0.45
▸ CLK4 Q9HAZ1 5/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP3A4 P08684 7/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HIF1A Q16665 2/20 0.43

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
SCHEMBL14606873 0.88 PDE10A (0.49) PDE10AADRA2ANPY5RCYP2D6CYP1A2
SCHEMBL14606597 0.78 ADRA2A (0.73) PDE10AADRA2ANPY5RALDH1A1MAPT
SCHEMBL13794892 0.76 ALDH1A1 (0.47) ADRA2ANPY5RCYP2D6CYP1A2TSHR
SCHEMBL15457190 0.75 SMN1; SMN2 (0.56) PDE10ACYP2D6CYP1A2TSHRCYP2C19
SCHEMBL13795182 0.74 MCHR1 (0.38) PDE10AADRA2ANPY5RCYP2D6CYP1A2
SCHEMBL638079 0.73 SMN1; SMN2 (0.54) PDE10ACYP2D6CYP1A2TSHRCYP2C19
SCHEMBL2178309 0.73 SMN1; SMN2 (0.58) PDE10ACYP2D6CYP1A2TSHRCYP2C19
SCHEMBL14606600 0.73 MCHR1 (0.62) ADRA2ANPY5RMCHR1
SCHEMBL12409984 0.72 SMN1; SMN2 (0.53) PDE10ACYP2D6CYP1A2TSHRCYP2C19
SCHEMBL13795669 0.71 MCHR1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE10A 1346/4885ADRA2A 131/4885NPY5R 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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