SCHEMBL13797355

SCHEMBL13797355

CN(C)c1ccc(CN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.57
ADRA2A P08913 14/20 0.57
APP P05067 3/20 0.52
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
NPY5R Q15761 2/20 0.51
HTR1A P08908 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL13795459 1.00 MCHR1 (0.57) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797445 0.94 MCHR1 (0.55) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13795330 0.93 MCHR1 (0.60) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796164 0.92 MCHR1 (0.54) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797459 0.92 MCHR1 (0.54) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797312 0.91 MCHR1 (0.57) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797309 0.91 MCHR1 (0.57) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796672 0.90 MCHR1 (0.56) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797304 0.90 MCHR1 (0.66) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797303 0.90 MCHR1 (0.66) MCHR1ADRA2AAPPBCHEACHE

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 3 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-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 MCHR1 1/4885ADRA2A 131/4885APP 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.