SCHEMBL879685

SCHEMBL879685

Cc1cc(Cl)ccc1C1=NC2(CCNCC2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
NOTUM Q6P988 2/20 0.40
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPOX P50336 1/20 0.34
HTR2C P28335 2/20 0.34
ABL1 P00519 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
HSP90AB1 P08238 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL13551796 0.86 CNR1 (0.41) CNR1CNR2NOTUMMAPTTDP1
Hydrochloric Acid SCHEMBL850774 0.85 CNR1 (0.41) CNR1CNR2NOTUMMAPTTDP1
SCHEMBL16104718 0.85 CNR1 (0.41) CNR1CNR2NOTUMAKR1B1
SCHEMBL13064627 0.84 CNR1 (0.38) CNR1CNR2MAPTTDP1PPOX
SCHEMBL16302140 0.81 NISCH (0.43) NOTUMHTR2C
SCHEMBL10291120 0.79 CNR1 (0.42) CNR1CNR2NOTUMMAPTTDP1
SCHEMBL879612 0.77 PDE3B (0.41) CNR1CNR2ABL1
SCHEMBL879638 0.77 PGR (0.44) NOTUMHTR2C
SCHEMBL13551838 0.76 NISCH (0.48) MAPTHTR2CMAPKAPK2AKR1A1AKR1B1
SCHEMBL10290558 0.76 BRD4 (0.38) CNR1CNR2MAPTHTR2CABL1

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 CNR1 973/4885CNR2 1502/4885NOTUM 4118/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CNR1 973/4885CNR2 1502/4885NOTUM 4118/4885

“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.