SCHEMBL436376

SCHEMBL436376

C=CCN1C(=O)CCc2cc(C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.48
POLB P06746 4/20 0.47
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SRD5A1 P18405 4/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.40
NOTUM Q6P988 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL12559582 0.88 POLB (0.47) ATAD2POLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL11061547 0.82 ATAD2 (0.44) ATAD2POLBLMNATSHRCYP1A2
SCHEMBL20335483 0.82 ATAD2 (0.67) ATAD2POLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL435242 0.81 ATAD2 (0.69) ATAD2POLBALDH1A1SRD5A1LMNA
SCHEMBL20344798 0.79 BRD4 (0.41) ATAD2POLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL6811092 0.79 HDAC1 (0.44) ATAD2POLBALDH1A1SRD5A1LMNA
SCHEMBL5539818 0.79 ATAD2 (0.54) ATAD2POLBALDH1A1SMN1; SMN2SRD5A1
SCHEMBL8224822 0.78 POLB (0.59) POLBTP53MAPTCYP1A2MEN1
SCHEMBL31718454 0.78 ADRA2A (0.47) ATAD2ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL18092293 0.78 GRIN1 (0.47) ATAD2POLBALDH1A1LMNAMAPT

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
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 ATAD2 2486/4885POLB 4094/4885ALDH1A1 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.