SCHEMBL849368

SCHEMBL849368

CN(C)CCNC(=O)Cc1ccc(Br)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 1/20 0.63
GLA P06280 1/20 0.63
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
HDAC1 Q13547 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
KCNH2 Q12809 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL14679387 0.85 HPGD (0.64) L3MBTL1KMT2AMEN1LMNAHDAC1
SCHEMBL5582645 0.84 HDAC1 (0.49) L3MBTL1KDM4EGLALMNACNR2
SCHEMBL2276151 0.84 ALDH1A1 (0.56) L3MBTL1KMT2AMEN1LMNACNR1
SCHEMBL8139484 0.84 HDAC1 (0.49) L3MBTL1KDM4EGLAHDAC1CYP1A2
SCHEMBL11570271 0.83 KCNH2 (0.69) KDM4EKMT2AMEN1LMNACNR1
SCHEMBL848795 0.83 LMNA (0.59) L3MBTL1KDM4EGLAKMT2AMEN1
Hydrochloric Acid SCHEMBL11570396 0.82 KCNH2 (0.67) KDM4EKMT2AMEN1CNR1CNR2
SCHEMBL4774229 0.81 L3MBTL1 (0.69) L3MBTL1KDM4EGLAKMT2AMEN1
SCHEMBL3109264 0.81 KCNH2 (0.49) L3MBTL1KDM4EGLAHDAC1CYP1A2
SCHEMBL8117324 0.80 RORC (0.48) L3MBTL1KDM4EGLAHDAC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 L3MBTL1 4219/4885KDM4E 2949/4885GLA 3131/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 L3MBTL1 4219/4885KDM4E 2949/4885GLA 3131/4885

“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.