SCHEMBL407920

SCHEMBL407920

CC(C)c1nnc(C2CCC(N)CC2)o1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMYD3 Q9H7B4 1/20 0.31
ENPP2 Q13822 1/20 0.31
GPR4 P46093 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LRRK2 Q5S007 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30

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
Hydrochloric Acid SCHEMBL441325 0.98 KDM1A (0.33) KDM1ACA1CA2SMYD3ENPP2
Hydrochloric Acid SCHEMBL441324 0.98 KDM1A (0.33) KDM1ACA1CA2SMYD3ENPP2
SCHEMBL12940206 0.91 ALDH1A1 (0.34) CA1CA2ENPP2ALDH1A1LRRK2
SCHEMBL27952180 0.86 SMYD3 (0.33) KDM1ACA1CA2SMYD3GPR4
SCHEMBL13275499 0.86 SMYD3 (0.33) KDM1ACA1CA2SMYD3GPR4
SCHEMBL19756335 0.84 EPHX2 (0.33)
SCHEMBL15490000 0.83 CYP2C19 (0.38) CA1CA2ENPP2ALDH1A1
SCHEMBL15490002 0.83 CYP2C19 (0.41) CA1CA2ALDH1A1
SCHEMBL21707308 0.82 KDM1A (0.33) KDM1ACA1CA2SMYD3
SCHEMBL17481119 0.81 CYP2C19 (0.44) CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KDM1A 2146/4885CA1 4037/4885CA2 4489/4885

“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.