SCHEMBL841376

SCHEMBL841376

O=C(O)c1cnc(OC2CCCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.45
KMT2A Q03164 1/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ACACB O00763 8/20 0.41
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR183 P32249 1/20 0.39
XDH P47989 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 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
SCHEMBL31704643 0.79 ACACB (0.46) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL31705706 0.79 ACACB (0.46) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL796242 0.78 MAPT (0.53) HCAR3PDE4APDE4BPDE4CPDE4D
SCHEMBL4767310 0.77 MAPT (0.51) HCAR3PDE4APDE4BPDE4CPDE4D
SCHEMBL796604 0.77 MAPT (0.51) HCAR3PDE4APDE4BPDE4CPDE4D
SCHEMBL3343105 0.75 GPR119 (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL840798 0.75 MAPT (0.53) HCAR3PDE4APDE4BPDE4CPDE4D
SCHEMBL4765049 0.74 HPGD (0.45) KMT2AACACBKDM4EALDH1A1CCNB2
SCHEMBL14089846 0.74 IP6K1 (0.49) KMT2AACACB
SCHEMBL4946467 0.73 IP6K1 (0.48) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687860-A Novel n- (8-heteroaryltetrahydronaphtalene-2yl) or n- (5- heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB 2010-03-31 CN 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
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
CN-101687860-B Novel n- (8-heteroaryltetrahydronaphtalene-2yl) or n- (5- heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB 2012-07-04 CN 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
CN-101687860-A Novel n- (8-heteroaryltetrahydronaphtalene-2yl) or n- (5- heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB 2010-03-31 CN 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 HCAR3 468/4885KMT2A 2512/4885PDE4A 919/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 HCAR3 2733/4885KMT2A 3949/4885PDE4A 456/4885

“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.