SCHEMBL452497

SCHEMBL452497

CCCCCC1=N[N]C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
SCD O00767 1/20 0.35
DHFR P00374 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CDC25A P30304 6/20 0.32
CDC25B P30305 6/20 0.32
CDC25C P30307 5/20 0.32
GPR84 Q9NQS5 6/20 0.31
DUSP3 P51452 1/20 0.31
KCNH2 Q12809 1/20 0.31
PPARA Q07869 1/20 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
SCHEMBL449761 0.98 ACHE (0.38) ACHEBACE1SCDDHFRALDH1A1
SCHEMBL20442366 0.71 ALDH1A1 (0.35) SCDALDH1A1GAAMAPTTHRB
SCHEMBL12356587 0.67 TSHR (0.40) ACHEBACE1SCDALDH1A1THRB
SCHEMBL4887906 0.67 GAA (0.41) ACHEBACE1SCDDHFRALDH1A1
SCHEMBL45540 0.67 SORT1 (0.58) ACHEBACE1SCDDHFRALDH1A1
SCHEMBL8798229 0.65 SORT1 (0.56) ACHEBACE1SCDDHFRALDH1A1
SCHEMBL7155537 0.63 DHFR (0.38) ACHEBACE1DHFRALDH1A1MAPT
SCHEMBL13281066 0.63 SCD (0.45) ACHEBACE1SCDALDH1A1MAPT
SCHEMBL4611630 0.63 CDC25A (0.44) ACHEBACE1SCDALDH1A1MAPT
SCHEMBL13280457 0.63 SCD (0.45) ACHEBACE1SCDALDH1A1MAPT

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 ACHE 2940/4885BACE1 2188/4885SCD 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.