SCHEMBL447927

SCHEMBL447927

CCOC(=O)C1CN(C(=O)c2ccc(Cl)cc2)CCC1=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
STAT3 P40763 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL7232734 0.88 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL7233616 0.88 HPGD (0.46) HPGDSMN1; SMN2TSHRALDH1A1POLB
SCHEMBL487758 0.79 HSP90AA1 (0.52) HPGDTSHRALDH1A1POLBMEN1
SCHEMBL10654584 0.79 MAPT (0.46) HPGDSMN1; SMN2TSHRALDH1A1POLB
SCHEMBL2436689 0.79 HPGD (0.65) HPGDSMN1; SMN2TSHRALDH1A1POLB
SCHEMBL2127522 0.78 MAPT (0.44) HPGDSMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL5871351 0.78 MAPT (0.44) HPGDSMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL275525 0.78 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL6271671 0.77 HPGD (0.77) HPGDSMN1; SMN2TSHRALDH1A1POLB
SCHEMBL5915613 0.77 POLB (0.57) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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 HPGD 224/4885SMN1; SMN2 3455/4885MAPK1 473/4885

“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.