SCHEMBL841768

SCHEMBL841768

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 3/20 0.60
SCN9A Q15858 10/20 0.49
SCN5A Q14524 8/20 0.47
KCNH2 Q12809 6/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
P4HA1 P13674 2/20 0.43
P4HTM Q9NXG6 2/20 0.43
MAPT P10636 1/20 0.43
RXRA P19793 1/20 0.42
MIF P14174 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL16422860 0.84 SCN9A (0.53) L3MBTL1ALDH1A1SCN9ASCN5AKCNH2
SCHEMBL28012424 0.83 SCN9A (0.56) ALDH1A1SCN9ASCN5AKCNH2CYP2C19
SCHEMBL9515534 0.80 MAPT (0.58) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL19961178 0.78 MRGPRX4 (0.60) L3MBTL1RXRA
SCHEMBL5567317 0.78 ALDH1A1 (0.55) L3MBTL1ALDH1A1MAPTGABRPGABRD
SCHEMBL2421993 0.77 NR4A2 (0.53) HPGDP4HA1P4HTMMAPTRXRA
SCHEMBL796847 0.77 L3MBTL1 (0.76) L3MBTL1ALDH1A1SCN9ASCN5AKCNH2
SCHEMBL29488316 0.76 L3MBTL1 (1.00) L3MBTL1ALDH1A1SCN9ACYP1A2CYP2C9
SCHEMBL796632 0.76 L3MBTL1 (0.54) L3MBTL1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL458559 0.76 L3MBTL1 (1.00) L3MBTL1ALDH1A1SCN9ACYP1A2CYP2C9

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 19 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-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 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
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
WO-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 WO disclosed
WO-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 WO 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 L3MBTL1 4778/4885ALDH1A1 854/4885SCN9A 302/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 L3MBTL1 4882/4885ALDH1A1 496/4885SCN9A 2285/4885

“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.