SCHEMBL2219353

SCHEMBL2219353

CC(C)(C)OC(=O)N1C[C@@H](NCC2CC2)C[C@@H](C(=O)N2CCOCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.44
NR1H2 P55055 1/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TGFBR1 P36897 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL2217711 0.87 RECQL (0.57) RECQLSMN1; SMN2USP2HPGDPOLB
SCHEMBL1422722 0.86 RECQL (0.56) RECQLSMN1; SMN2USP2HPGDPOLB
SCHEMBL15885586 0.83 RECQL (0.76) RECQLSMN1; SMN2USP2HPGDPOLB
SCHEMBL3493285 0.83 POLB (0.44) RECQLSMN1; SMN2USP2HPGDPOLB
SCHEMBL2219304 0.82 RECQL (0.60) RECQLSMN1; SMN2USP2HPGDPOLB
SCHEMBL30719531 0.81 NR1H2 (0.54) RECQLSMN1; SMN2USP2NR1H2PKM
SCHEMBL27344410 0.81 NR1H2 (0.54) RECQLSMN1; SMN2USP2NR1H2PKM
SCHEMBL27344421 0.81 NR1H2 (0.54) RECQLSMN1; SMN2USP2NR1H2PKM
SCHEMBL18485316 0.79 RECQL (0.65) RECQLSMN1; SMN2USP2HPGDPOLB
SCHEMBL22172300 0.79 RECQL (0.65) RECQLSMN1; SMN2USP2HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 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 (5 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE RECQL 1255/4885SMN1; SMN2 4625/4885USP2 3546/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE RECQL 1053/4885SMN1; SMN2 4567/4885USP2 4362/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE RECQL 1255/4885SMN1; SMN2 4625/4885USP2 3546/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE RECQL 1255/4885SMN1; SMN2 4625/4885USP2 3546/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE RECQL 1255/4885SMN1; SMN2 4625/4885USP2 3546/4885

“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.