SCHEMBL448701

SCHEMBL448701

CCCC[C]1CC(=O)NN1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.36
DAO P14920 1/20 0.33
HSD17B10 Q99714 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
ALOX5 P09917 2/20 0.30

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
SCHEMBL452496 0.94 GPR84 (0.38) TYMPGPR84ALOX5
SCHEMBL449760 0.92 GPR84 (0.41) TYMPGPR84ALOX5
SCHEMBL449987 0.86
SCHEMBL121542 0.63
SCHEMBL2616808 0.63 TYMP (0.34) TYMPDAOHSD17B10KDM4EPKM
SCHEMBL5566058 0.63 GAA (0.42) TYMPDAOKDM4E
SCHEMBL623922 0.62 TYMP (0.36) TYMPDAOHSD17B10GPR84KDM4E
SCHEMBL320624 0.59 SCD (0.54) HSD17B10
SCHEMBL9276218 0.59
Succinimide SCHEMBL7039031 0.59 CRBN (0.61) KDM4ECRBNALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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 (1 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH TYMP 4541/4885DAO 1767/4885HSD17B10 266/4885

“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.