SCHEMBL452496

SCHEMBL452496

CCCCC[C]1CC(=O)NN1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.38
TYMP P19971 3/20 0.38
SCD O00767 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 2/20 0.33

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
SCHEMBL449760 0.98 GPR84 (0.41) GPR84TYMPSCDALDH1A1MAPT
SCHEMBL448701 0.94 TYMP (0.36) GPR84TYMPALOX5
SCHEMBL7265439 0.67 GPR84 (0.35) GPR84KMT2A
SCHEMBL8510179 0.65 SCD (0.35) GPR84TYMPSCDALDH1A1MAPT
SCHEMBL4887906 0.64 GAA (0.41) GPR84TYMPSCDALDH1A1MAPT
SCHEMBL13281066 0.64 SCD (0.45) GPR84TYMPSCDALDH1A1MAPT
SCHEMBL13280457 0.64 SCD (0.45) GPR84TYMPSCDALDH1A1MAPT
SCHEMBL4611630 0.64 CDC25A (0.44) GPR84SCDALDH1A1MAPTTHRB
Succinimide SCHEMBL7039031 0.62 CRBN (0.61) ALDH1A1ALOX5
Succinimide SCHEMBL27423831 0.62 CRBN (0.61) ALDH1A1ALOX5

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 GPR84 1196/4885TYMP 4541/4885SCD 4518/4885

“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.