SCHEMBL840824

SCHEMBL840824

O=C(O)c1ccc(C(=O)NCCC(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.51
P4HA1 P13674 1/20 0.51
MIF P14174 1/20 0.51
SCN9A Q15858 2/20 0.48
KCNH2 Q12809 1/20 0.48
SCN5A Q14524 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC6 Q9UBN7 1/20 0.46
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
EPHX2 P34913 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
HCAR3 P49019 1/20 0.42
TRPM8 Q7Z2W7 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
SCHEMBL841772 0.92 KCNH2 (0.57) P4HTMP4HA1MIFSCN9AKCNH2
SCHEMBL16963708 0.87 SCN9A (0.50) SCN9AKCNH2SCN5AHDAC6MAOB
SCHEMBL3668875 0.87 SCN9A (0.47) SCN9AKCNH2SCN5AHDAC6MAOB
SCHEMBL839676 0.85 MAPK1 (0.57) SCN9AKCNH2SCN5AL3MBTL1HDAC6
SCHEMBL16964516 0.82 SCN9A (0.50) SCN9AKCNH2SCN5AKDM4EEPHX2
SCHEMBL16964674 0.81 ALDH1A1 (0.47) SCN9AKCNH2SCN5AL3MBTL1MAOB
SCHEMBL22269020 0.81 HCAR3 (0.59) P4HTMP4HA1MIFL3MBTL1MAOB
SCHEMBL16964231 0.80 MLYCD (0.55) NPC1ALDH1A1RAB9AEPHX2
SCHEMBL1783228 0.78 P4HTM (0.53) P4HTMP4HA1MIFMAOBKDM4E
SCHEMBL16964682 0.78 RAB9A (0.60) L3MBTL1NPC1RAB9AEPHX2NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP claimed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
EP-2158198-B1 N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2013-03-20 EP disclosed
EP-2158198-B1 N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2013-03-20 EP disclosed
US-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US disclosed
US-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US disclosed
US-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US disclosed
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 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-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 P4HTM 1358/4885P4HA1 764/4885MIF 3013/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 P4HTM 2231/4885P4HA1 2474/4885MIF 3911/4885

“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.