SCHEMBL447849

SCHEMBL447849

CCOC(=O)C1=C(NC(=O)Oc2ccccc2)CCN(C(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
ELANE P08246 1/20 0.40
MAPK1 P28482 3/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
CXCR3 P49682 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LIPE Q05469 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
RECQL P46063 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL435995 0.81 ADORA1 (0.43) KMT2AMEN1MAPTHPGDMAPK1
SCHEMBL435591 0.77 MAPK1 (0.47) SIRT3KMT2AMEN1MAPTALDH1A1
SCHEMBL436117 0.76 MAPK1 (0.47) SIRT3KMT2AMEN1MAPTALDH1A1
SCHEMBL6253821 0.73 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6281284 0.73 GRM1 (0.44) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6334402 0.73 MAPT (0.46) SIRT3KMT2AMEN1MAPTALDH1A1
SCHEMBL6253517 0.72 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6251570 0.72 CHRM5 (0.42) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6251429 0.72 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1ELANE
SCHEMBL6257706 0.70 MEN1 (0.46) KMT2AMEN1MAPTALDH1A1HPGD

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 5 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
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

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 SIRT3 1132/4885KMT2A 2679/4885MEN1 1828/4885

“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.