SCHEMBL14331908

SCHEMBL14331908

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2c[nH]nn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
GLS O94925 2/20 0.45
GNRHR P30968 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
TP53 P04637 2/20 0.44
RORC P51449 1/20 0.44
NAMPT P43490 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CD O00329 1/20 0.43
TGFBR1 P36897 1/20 0.43
LMNA P02545 1/20 0.42
BRD3 Q15059 1/20 0.42

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
SCHEMBL22372184 0.80 HIF1A (0.45) KDM4EGLSNAMPT
SCHEMBL16762587 0.80 KDM4E (0.59) KDM4EPKMFPR3FPR2GNRHR
SCHEMBL6984094 0.79 KDM4E (0.71) KDM4EPKMTP53RORCNAMPT
SCHEMBL15795679 0.78 GPR119 (0.48) KDM4EPKMGLS
SCHEMBL17594570 0.78 KDM4E (0.59) KDM4EPKMGNRHRTP53
SCHEMBL16825871 0.77 KDM4E (0.79) KDM4EPKMFPR3FPR2GNRHR
SCHEMBL26131403 0.77 KDM4E (1.00) KDM4EPKMTP53NAMPTKMT2A
SCHEMBL25195749 0.77 KDM4E (0.61) KDM4EPKMFPR3FPR2GNRHR
SCHEMBL8206262 0.77 KDM4E (0.64) KDM4EPKMGNRHRTP53RORC
SCHEMBL13947430 0.76 KDM4E (0.80) KDM4EPKMGNRHRTP53RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708294-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-18 US disclosed
US-9708294-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-18 US disclosed
US-9708294-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-18 US disclosed
EP-2723173-B1 TRIAZOLE DERIVATIVES USEFUL AS NICOTINIC RECEPTOR ANTAGONISTS INTRA CELLULAR THERAPIES INC (US) 2017-04-19 EP disclosed
US-9469625-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 US disclosed
US-9469625-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 US disclosed
US-9469625-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 US disclosed
US-20160237061-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-08-18 US disclosed
US-20160237061-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-08-18 US disclosed
US-20160237061-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-08-18 US disclosed
US-20140205596-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-07-24 US disclosed
US-20140205596-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-07-24 US disclosed
US-20140205596-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-07-24 US disclosed
EP-2723173-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2014-04-30 EP disclosed
WO-2012178112-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2012-12-27 WO disclosed
WO-2012178112-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2012-12-27 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-20140205596-A1 ORGANIC COMPOUNDS CHRNG, CHRM3, CHRNB1 KDM4E 3525/4885PKM 3224/4885FPR3 1406/4885
US-20160237061-A1 ORGANIC COMPOUNDS CHRNG, CHRM3, CHRNB1 KDM4E 3525/4885PKM 3224/4885FPR3 1406/4885

“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.