SCHEMBL12374972

SCHEMBL12374972

CC(=O)CN1CCC(C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LIPA P38571 1/20 0.31
CYP2J2 P51589 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TSHR P16473 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
OPRL1 P41146 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 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
SCHEMBL12374976 0.89 HSD11B1 (0.44) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL21128453 0.85 HSD11B1 (0.38) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL14592906 0.84 KDM4E (0.40) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL12735220 0.79 HTT (0.36) HSD11B1CYP2D6KCNH2SMN1; SMN2MEN1
SCHEMBL15925060 0.76 THRA (0.35) CYP2D6KCNH2LMNASMN1; SMN2MEN1
SCHEMBL12374967 0.76 KCNH2 (0.34) KCNH2OPRL1
SCHEMBL18084127 0.76 TERT (0.43) HSD11B1KCNH2HRH3SMN1; SMN2KMT2A
SCHEMBL12635248 0.75 PDCD1 (0.38) CYP2D6SMN1; SMN2
SCHEMBL12635247 0.75 PDCD1 (0.38) CYP2D6SMN1; SMN2
SCHEMBL12635252 0.75 DPP4 (0.37) SMN1; SMN2SIGMAR1

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-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 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-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG HSD11B1 990/4885CYP2D6 2109/4885KCNH2 4494/4885

“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.