SCHEMBL879612

SCHEMBL879612

Cc1cc(C2=NC3(CCNCC3)C(=O)N2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
BRD4 O60885 2/20 0.36
CREBBP Q92793 1/20 0.36
ABL1 P00519 1/20 0.34
NPBWR1 P48145 1/20 0.32
PTGS2 P35354 2/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
PDE7A Q13946 1/20 0.32
PTH1R Q03431 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
XIAP P98170 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31

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
SCHEMBL879670 0.87 CNR1 (0.38) PDE3BPDE3ACNR1CNR2SLC6A2
SCHEMBL879714 0.84 GSK3B (0.40) PDE3BPDE3ACNR1CNR2PTGS2
SCHEMBL10290790 0.81 NISCH (0.49) CNR1CNR2PTGS2PTGS1
SCHEMBL13064674 0.81 PDE3B (0.44) PDE3BPDE3ASLC6A2SLC6A4SLC6A3
SCHEMBL10291120 0.80 CNR1 (0.42) CNR1CNR2
SCHEMBL879638 0.78 PGR (0.44) SLC6A4
SCHEMBL10291449 0.78 NISCH (0.47)
SCHEMBL879685 0.77 CNR1 (0.40) CNR1CNR2ABL1
SCHEMBL10290558 0.75 BRD4 (0.38) CNR1CNR2BRD4CREBBPABL1
SCHEMBL13551796 0.74 CNR1 (0.41) CNR1CNR2

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 9 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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 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
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
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PDE3B 133/4885PDE3A 136/4885CNR1 973/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PDE3B 133/4885PDE3A 136/4885CNR1 973/4885

“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.