SCHEMBL436117

SCHEMBL436117

CCOC(=O)C1=C(N)CCN(C(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
STAT3 P40763 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIRT3 Q9NTG7 1/20 0.45
POLB P06746 1/20 0.44
ELANE P08246 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD3 P35462 1/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL435591 0.87 MAPK1 (0.47) MAPK1STAT3SMN1; SMN2SIRT3POLB
SCHEMBL22424596 0.81 TSHR (0.55) MAPK1POLBMAPTLMNAALDH1A1
SCHEMBL447849 0.76 SIRT3 (0.42) MAPK1STAT3SMN1; SMN2SIRT3ELANE
SCHEMBL22410822 0.75 TSHR (0.57) MAPK1POLBMAPTLMNAALDH1A1
SCHEMBL1174448 0.74 PRMT5 (0.52) MAPK1STAT3SMN1; SMN2POLBPDE4B
SCHEMBL13404522 0.74 KMT2A (0.48) MAPK1SMN1; SMN2PDE4BALDH1A1KMT2A
SCHEMBL22424589 0.73 ALDH1A1 (0.48) MAPK1SMN1; SMN2POLBMAPTLMNA
SCHEMBL31315800 0.73 TMEM97 (0.51) SMN1; SMN2PDE4DMAPTALDH1A1KMT2A
SCHEMBL452692 0.73 ADORA1 (0.60) SMN1; SMN2MAPTLMNAALDH1A1KMT2A
SCHEMBL10901495 0.72 LMNA (0.71) MAPK1STAT3SMN1; SMN2POLBMAPT

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 8 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-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
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
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 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 MAPK1 473/4885STAT3 2186/4885SMN1; SMN2 3455/4885

“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.