SCHEMBL738682

SCHEMBL738682

CC1(N)CN(Cc2ccccc2)C(=O)C12CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ELANE P08246 3/20 0.46
RIPK1 Q13546 1/20 0.45
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
CTSG P08311 1/20 0.41
PRTN3 P24158 1/20 0.41
TSHR P16473 1/20 0.40
CYP2D6 P10635 2/20 0.40
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL739715 0.85 SIGMAR1 (0.44) GAAKMT2AMEN1OPRM1USP2
SCHEMBL9938493 0.78 KMT2A (0.44) GAAKMT2AMEN1ELANERIPK1
SCHEMBL10306166 0.78 KMT2A (0.44) GAAKMT2AMEN1ELANERIPK1
SCHEMBL10870338 0.77 ELANE (0.55) GAAKMT2AMEN1ELANERIPK1
SCHEMBL13201398 0.75 KMT2A (0.58) GAAKMT2AMEN1ELANERIPK1
SCHEMBL11165846 0.74 GAA (0.47) GAAKMT2AMEN1ELANERIPK1
SCHEMBL21228482 0.72 KMT2A (0.50) GAAKMT2AMEN1ELANERIPK1
SCHEMBL24992399 0.71 KMT2A (0.61) GAAKMT2AMEN1ELANERIPK1
SCHEMBL13246448 0.71 GAA (0.47) GAAKMT2AMEN1ELANERIPK1
SCHEMBL82429 0.70 KMT2A (0.43) KMT2AMEN1RIPK1OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 GAA 2069/4885KMT2A 2610/4885MEN1 2886/4885
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY GAA 2163/4885KMT2A 2544/4885MEN1 4094/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 GAA 1980/4885KMT2A 2807/4885MEN1 3492/4885

“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.