SCHEMBL2418810

SCHEMBL2418810

Nc1nc(=O)[nH]c2cccc(OCCC3CCN(C(=O)O)CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 4/20 0.41
▸ DCPS Q96C86 3/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ TEAD1 P28347 1/20 0.39
▸ TEAD3 Q99594 1/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ MMP13 P45452 1/20 0.36
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL2420568 0.88 CHEK2 (0.48) CHEK2
SCHEMBL12322611 0.83 MCHR1 (0.43) CHEK2MCHR1
Hydrochloric Acid SCHEMBL2416883 0.83 MCHR1 (0.42) CHEK2MCHR1
SCHEMBL13982641 0.75 KDM4E (0.44) —
SCHEMBL12322095 0.73 CSNK1A1 (0.46) MCHR1
SCHEMBL12322112 0.73 DCPS (0.46) DCPSMCHR1
SCHEMBL12322039 0.72 KDM1A (0.53) CHEK2
SCHEMBL5341615 0.72 TEAD1 (0.46) CHEK2AKR1C3TEAD1TEAD3MCHR1
SCHEMBL12322111 0.72 DCPS (0.61) DCPSMCHR1
SCHEMBL620112 0.71 TEAD1 (0.43) TEAD1TEAD3MCHR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 — — EP disclosed
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-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 — — US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 — — EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 — — EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 — — US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 — — WO 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 CHEK2 2364/4885DCPS 894/4885AKR1C3 2970/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CHEK2 2364/4885DCPS 894/4885AKR1C3 2970/4885

“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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