SCHEMBL13793594

SCHEMBL13793594

Cc1nc(N2CCC(N)C2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 3/20 0.52
▸ KHK P50053 1/20 0.49
▸ HRH4 Q9H3N8 2/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ NUDT1 P36639 1/20 0.46
▸ GLA P06280 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ ADRA1D P25100 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ SSTR2 P30874 1/20 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
SCHEMBL13793593 0.91 HRH4 (0.54) HTR3AHRH4HPGDHSD17B10ALDH1A1
SCHEMBL3938295 0.83 PDE10A (0.48) HTR3AKHKHRH4MKNK1MKNK2
SCHEMBL5786728 0.83 ALDH1A1 (0.65) HTR3AHPGDHSD17B10ALDH1A1NUDT1
Hydrochloric Acid SCHEMBL6337335 0.82 ALDH1A1 (0.63) HTR3AHPGDHSD17B10ALDH1A1NUDT1
Hydrochloric Acid SCHEMBL5789123 0.82 ALDH1A1 (0.63) HTR3AHPGDHSD17B10ALDH1A1NUDT1
Hydrochloric Acid SCHEMBL6330957 0.82 ALDH1A1 (0.63) HTR3AHPGDHSD17B10ALDH1A1NUDT1
SCHEMBL12225991 0.80 MEN1 (0.59) KHKHRH4MKNK1MKNK2HPGD
SCHEMBL6330939 0.79 L3MBTL1 (0.46) HTR3AHRH4MKNK1MKNK2HPGD
SCHEMBL6337475 0.79 L3MBTL1 (0.46) HTR3AHRH4MKNK1MKNK2HPGD
SCHEMBL6337199 0.79 L3MBTL1 (0.46) HTR3AHRH4MKNK1MKNK2HPGD

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 HTR3A 36/4885KHK 2118/4885HRH4 332/4885

“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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