SCHEMBL9259830

SCHEMBL9259830

CC(C)N1Cc2ccncc2CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
CYP19A1 P11511 4/20 0.38
NAMPT P43490 9/20 0.37
TIPARP Q7Z3E1 2/20 0.36
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9261369 0.94 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CYP11B2CYP11B1
SCHEMBL9252931 0.86 TIPARP (0.37) SIGMAR1NAMPTTIPARPMITFALDH1A1
SCHEMBL9252937 0.83 TIPARP (0.37) SIGMAR1NAMPTTIPARPMITFALDH1A1
SCHEMBL9255186 0.78 CYP2A6 (0.44) ALDH1A1LMNA
SCHEMBL9259806 0.74 IDH1 (0.43) CYP11B2MITFALDH1A1LMNARAB9A
SCHEMBL9252905 0.74 IDH1 (0.40) CYP11B2MITFALDH1A1LMNARAB9A
SCHEMBL13019295 0.73 SMN1; SMN2 (0.40) SIGMAR1CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL8136850 0.73 SMN1; SMN2 (0.40) SIGMAR1CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL8271969 0.72 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4NAMPTMITF
SCHEMBL828249 0.72 XIAP (0.39) TIPARPMITFALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP SIGMAR1 1154/4885CHRNB2 2171/4885CHRNA4 2231/4885

“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.