SCHEMBL452693

SCHEMBL452693

CCC1C(C(=O)O)=C(N)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.38
NR1H2 P55055 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GHSR Q92847 3/20 0.34
ATM Q13315 2/20 0.34
SCN5A Q14524 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL19078479 0.79 ATM (0.41) NR1H2ALDH1A1HSD17B10ATMSMN1; SMN2
SCHEMBL34469349 0.73 NR1H2 (0.39) ADORA1NR1H2HSD17B10SMN1; SMN2
SCHEMBL21818930 0.73 ATM (0.42) ALDH1A1HSD17B10ATMSMN1; SMN2
SCHEMBL21834515 0.73 ATM (0.42) ALDH1A1HSD17B10ATMSMN1; SMN2
SCHEMBL26466455 0.73 ALDH1A1 (0.35) NR1H2ALDH1A1HSD17B10ATM
SCHEMBL447448 0.73 GHSR (0.40) GHSR
SCHEMBL26466448 0.71 ALDH1A1 (0.34) ALDH1A1GHSRATMSMN1; SMN2
SCHEMBL12162581 0.71 MTNR1B (0.48) NR1H2GHSR
SCHEMBL18759956 0.70 CYP3A4 (0.47) SMN1; SMN2
SCHEMBL6536207 0.70 ALDH1A1 (0.40) ALDH1A1HSD17B10ATMSMN1; SMN2

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 3 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
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 ADORA1 1560/4885NR1H2 246/4885ALDH1A1 461/4885

“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.