SCHEMBL1972452

SCHEMBL1972452

O=C1NC2(CCN(Cc3ccccc3)CC2)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
OPRL1 P41146 2/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
CHRNA7 P36544 1/20 0.47
DRD2 P14416 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46

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
SCHEMBL21640067 0.85 GAA (0.50) SIGMAR1MEN1ALDH1A1TSHRKMT2A
SCHEMBL1977579 0.81 SIGMAR1 (0.47) SIGMAR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL3508969 0.76 FAAH (0.43) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL23460620 0.75 OPRL1 (0.51) SIGMAR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL22053045 0.75 KDM4E (0.37) GAA
SCHEMBL24992826 0.74 ALDH1A1 (0.49) SIGMAR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL11171186 0.73 SIGMAR1 (0.51) SIGMAR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL2604320 0.72 TSHR (0.75) SIGMAR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL5258915 0.72 ALDH1A1 (0.54) SIGMAR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL8364002 0.72 HSD11B1 (0.61) SIGMAR1MEN1ALDH1A1CYP2C9TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
EP-1994020-A2 SUBSTITUTED QUINOLONES III AiCuris GmbH & Co. KG (DE) 2008-11-26 EP disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 WO disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A SIGMAR1 2978/4885MEN1 2183/4885ALDH1A1 3228/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 SIGMAR1 4547/4885MEN1 989/4885ALDH1A1 3244/4885

“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.