SCHEMBL2417946

SCHEMBL2417946

CC1(COc2cccc(N)c2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.37
▸ DCPS Q96C86 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ VEGFA P15692 1/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
Sulfamide SCHEMBL2420142 0.93 DHFR (0.34) DHFRDCPSNPC1RAB9AALDH1A1
SCHEMBL2416172 0.78 ALDH1A1 (0.58) NPC1RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL2417639 0.77 CTDSP1 (0.42) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL618316 0.75 CYP1A2 (0.50) NPC1RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL15972537 0.75 MRGPRX4 (0.33) CYP1A2CYP2C9KDM4EMAPK8MAPK9
SCHEMBL15972526 0.75 SMN1; SMN2 (0.33) ALDH1A1CYP1A2CYP2C9KDM4EMAPT
SCHEMBL15973586 0.75 MRGPRX4 (0.35) NPC1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL27906051 0.75 KRAS (0.33) ALDH1A1KDM4EMAPTADRA2BPTGS1
SCHEMBL620245 0.74 KRAS (0.31) MAPK8MAPK9MAPK10KRAS
SCHEMBL620764 0.74 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPK8

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 11 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
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 — — CN 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 DHFR 4593/4885DCPS 894/4885NPC1 2949/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 DHFR 4593/4885DCPS 894/4885NPC1 2949/4885

“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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