SCHEMBL14658795

SCHEMBL14658795

CCNc1nc(C(F)(F)F)ccc1CN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ ATM Q13315 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ CAMK2B Q13554 1/20 0.35
▸ CAMK2G Q13555 1/20 0.35
▸ CAMK2D Q13557 1/20 0.35
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL2536999 0.86 TRPV1 (0.45) L3MBTL1KDM4ENPSR1PTGS1TRPV1
SCHEMBL5743149 0.80 LMNA (0.44) ATMCYP1A2CYP2C19L3MBTL1CACNA1C
SCHEMBL2528015 0.79 FABP4 (0.45) ATMCYP1A2CYP2C19POLBCYP3A4
SCHEMBL14668356 0.76 AOC1 (0.41) AOC1AOC3CACNA1CSCN5AKDM4E
SCHEMBL14797674 0.74 KDM4E (0.43) ATMCYP1A2CYP2C19L3MBTL1POLB
SCHEMBL2870247 0.74 KDM4E (0.39) CYP2C19CYP3A4CYP2C9LMNAKDM4E
SCHEMBL15635649 0.72 TAS2R14 (0.42) CYP2C19LMNAKDM4EP2RX7GAA
SCHEMBL5745561 0.72 PGK1 (0.47) CYP1A2CYP2C19L3MBTL1CYP3A4LMNA
SCHEMBL2528587 0.72 TRPV1 (0.45) AOC1AOC3KDM4EPTGS1TRPV1
SCHEMBL16647839 0.71 MAT2A (0.42) CACNA1CSCN5APTGS1TRPV1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3130589-A1 HETEROCYCLIC AZA COMPOUNDS Grünenthal GmbH (DE) 2017-02-15 — — EP disclosed
EP-2760836-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 — — EP disclosed
CN-103917523-A Amine-substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH 2014-07-09 — — CN disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 — — US disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 — — US disclosed
EP-2736882-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2014-06-04 — — EP disclosed
WO-2013045451-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 — — WO disclosed
WO-2013045451-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 — — WO disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
WO-2013013817-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2013-01-31 — — WO disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 — — US disclosed
WO-2013013817-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2013-01-31 — — WO disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 — — 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-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPA1, TRPV3 AOC1 3948/4885AOC3 3598/4885ATM 1114/4885
US-20130029961-A1 Substituted Heterocyclic Aza Compounds TRPV1, GPR17, TRPV2 AOC1 1423/4885AOC3 2727/4885ATM 4438/4885

“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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