SCHEMBL12744428

SCHEMBL12744428

CNS(=O)(=O)CCN1CCN(C(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.40
DRD3 P35462 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 3/20 0.39
THRB P10828 4/20 0.38
LOX P28300 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR7 P34969 1/20 0.36

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
SCHEMBL23464921 0.85 KDM1A (0.46) KDM1ANPSR1
SCHEMBL13589512 0.80 PIK3CD (0.48) PIK3CDCYP1A2TDP1SIGMAR1DRD3
SCHEMBL5482353 0.80 PIK3CD (0.48) PIK3CDCYP1A2TDP1SIGMAR1DRD3
SCHEMBL13451388 0.80 KDM1A (0.43) KDM1A
SCHEMBL12744445 0.77 CARM1 (0.46) HRH3CYP2C19KDM1AALDH1A1
SCHEMBL23823660 0.77 CYP1A2 (0.64) PIK3CDCYP1A2TDP1SIGMAR1DRD3
SCHEMBL13588757 0.76 PIK3CD (0.53) PIK3CDCYP1A2TDP1SIGMAR1DRD3
SCHEMBL12744429 0.76 CARM1 (0.45) SIGMAR1HRH3KDM1AALDH1A1
SCHEMBL3314840 0.74 CARM1 (0.54) PIK3CDCYP1A2TDP1SIGMAR1DRD3
SCHEMBL12744430 0.74 KDM1A (0.48) KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910611-B2 Therapeutic agent for restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-22 US disclosed
US-20100029625-A1 Therapeutic Agent for Restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-02-04 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-20100029625-A1 Therapeutic Agent for Restenosis NR1H2, NR1H3, LDLR PIK3CD 2263/4885CYP1A2 1325/4885TDP1 4289/4885

“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.