SCHEMBL13793347

SCHEMBL13793347

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccco3)CC2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 15/20 0.68
▸ ADRA2A P08913 14/20 0.68
▸ NPY5R Q15761 2/20 0.65
▸ HTR1A P08908 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ HRH1 P35367 1/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13794152 0.90 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793933 0.88 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793034 0.85 MCHR1 (0.86) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797481 0.85 MCHR1 (0.69) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793909 0.85 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793431 0.84 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793492 0.84 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794271 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4032915 0.84 MCHR1 (0.74) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4032911 0.84 MCHR1 (0.74) MCHR1ADRA2ANPY5RHTR1AADRA1A

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 131/4885NPY5R 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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