SCHEMBL840683

SCHEMBL840683

COC(=O)c1cnc(OC(C)C)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
XDH P47989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ACACB O00763 2/20 0.36
TSHR P16473 1/20 0.35
JUN P05412 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL8552983 0.83 GAA (0.45) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8590367 0.76 RAB9A (0.47) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4762107 0.76 NPC1 (0.47) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9048646 0.75 RAB9A (0.45) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL21746957 0.73 NFKB1 (0.55) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL11789147 0.72 POLB (0.38) RAB9ASMN1; SMN2MAPTXDHACACB
SCHEMBL2221978 0.71 AHR (0.55) LMNARAB9ANPC1ALDH1A1KMT2A
SCHEMBL24585103 0.71 LMNA (0.46) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL30601127 0.71 LMNA (0.46) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL23604996 0.71 NPC1 (0.43) LMNARAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 LMNA 2379/4885RAB9A 2592/4885SMN1; SMN2 619/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 LMNA 2256/4885RAB9A 1835/4885SMN1; SMN2 3639/4885

“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.