SCHEMBL840204

SCHEMBL840204

Cc1noc(C)c1-c1cccc2c1C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.49
SCN5A Q14524 3/20 0.49
KCNH2 Q12809 2/20 0.49
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GALK1 P51570 1/20 0.43
PTGS2 P35354 1/20 0.42
USP30 Q70CQ3 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
DHODH Q02127 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
UCHL1 P09936 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL839801 0.89 MTNR1A (0.46) SCN9ASCN5AKCNH2MTNR1AMTNR1B
SCHEMBL841173 0.85 SCN9A (0.47) SCN9ASCN5AKCNH2MTNR1AMTNR1B
SCHEMBL839817 0.79 SCN9A (0.54) SCN9ASCN5AKCNH2MTNR1AMTNR1B
SCHEMBL839935 0.79 GABRA5 (0.45) MTNR1AMTNR1B
SCHEMBL840244 0.79 GABRA5 (0.48) SCN9ASCN5AKCNH2
SCHEMBL840534 0.78 MTNR1A (0.43) MTNR1AMTNR1BKMT2AUSP30AURKA
SCHEMBL4786534 0.73 MTNR1A (0.54) SCN9ASCN5AKCNH2MTNR1AMTNR1B
SCHEMBL4788572 0.71 MTNR1A (0.51) SCN9ASCN5AKCNH2MTNR1AMTNR1B
SCHEMBL841202 0.70 SCN9A (0.55) SCN9ASCN5AKCNH2MTNR1AMTNR1B
SCHEMBL4787682 0.70 HTR7 (0.51) SCN9ASCN5AKCNH2MTNR1AMTNR1B

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
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 claimed
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 claimed
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
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-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

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 SCN9A 302/4885SCN5A 55/4885KCNH2 399/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 SCN9A 2285/4885SCN5A 380/4885KCNH2 2078/4885

“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.