SCHEMBL6863653

SCHEMBL6863653

CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
MAOB P27338 1/20 0.57
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
AKT1 P31749 3/20 0.49
DRD2 P14416 3/20 0.48
KCNA3 P22001 1/20 0.47
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
REN P00797 1/20 0.44
TSHR P16473 1/20 0.43
CCR5 P51681 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL21071384 1.00 KDM1A (0.57) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL31520824 1.00 KDM1A (0.57) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL3206911 0.89 KMT2A (0.54) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL3206908 0.89 KMT2A (0.54) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL25033862 0.88 KMT2A (0.53) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL30441585 0.85 KMT2A (0.58) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL1813191 0.84 KMT2A (0.55) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL6424355 0.83 KMT2A (0.51) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL5694937 0.83 KMT2A (0.58) KDM1AMAOBKMT2AL3MBTL1AKT1
SCHEMBL4266530 0.83 KMT2A (0.58) KDM1AMAOBKMT2AL3MBTL1AKT1

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
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 US disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 US disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 WO disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
US-8536172-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-8536172-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20110034470-A1 Inhibitors of JNK GONG LEYI 2011-02-10 US 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 (3 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-20110034470-A1 Inhibitors of JNK MAPK1, MAP3K6, MAP3K3 KDM1A 2050/4885MAOB 3462/4885KMT2A 3045/4885
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT CD38, NQO1, NADK KDM1A 1257/4885MAOB 494/4885KMT2A 2050/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 KDM1A 1992/4885MAOB 2758/4885KMT2A 797/4885

“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.