SCHEMBL12322095

SCHEMBL12322095

CCCCOc1cccc2[nH]c(=O)nc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ PAK1 Q13153 1/20 0.46
▸ CAMK2B Q13554 1/20 0.46
▸ CAMK2G Q13555 1/20 0.46
▸ CAMK2D Q13557 1/20 0.46
▸ TAOK1 Q7L7X3 1/20 0.46
▸ MCHR1 Q99705 3/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.43
▸ TLR8 Q9NR97 3/20 0.43
▸ PDE5A O76074 3/20 0.43
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ CDC7 O00311 1/20 0.42

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
SCHEMBL12282645 0.84 PDE5A (0.43) MCHR1CYP1A2CYP2C9CYP2C19PDE5A
SCHEMBL2418023 0.82 KCNA5 (0.43) MCHR1PIM1CLK4XDHKCNA5
SCHEMBL1620226 0.80 ABCG2 (0.51) SLC2A1KCNA5
SCHEMBL13982466 0.79 NPC1 (0.53) KCNA5
SCHEMBL12282002 0.79 DCPS (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL13982641 0.79 KDM4E (0.44) KCNA5
SCHEMBL12322611 0.77 MCHR1 (0.43) MCHR1TLR7TLR8PIM1
SCHEMBL12281997 0.77 MAPT (0.43) MCHR1TLR8PDE5ACDK2CLK4
Hydrochloric Acid SCHEMBL2416883 0.77 MCHR1 (0.42) MCHR1TLR7TLR8PIM1
SCHEMBL12323417 0.77 KCNA5 (0.38) SLC2A1KCNA5

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-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 — — US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 — — US disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 — — 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 (2 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CSNK1A1 2050/4885CSNK1D 1836/4885PRKCD 2707/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CSNK1A1 2050/4885CSNK1D 1836/4885PRKCD 2707/4885

“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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