SCHEMBL8129805

SCHEMBL8129805

CC(C)(C)N1CCC2(CCCc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.58
EBP Q15125 1/20 0.58
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
DRD2 P14416 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTR2B P41595 1/20 0.57
MTOR P42345 1/20 0.57
MEN1 O00255 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL8101149 0.90 SIGMAR1 (0.56) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL240450 0.83 SIGMAR1 (0.68) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL23770525 0.81 SIGMAR1 (0.50) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL31052615 0.79 SIGMAR1 (0.60) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL18192167 0.79 SIGMAR1 (0.60) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL23770526 0.79 SIGMAR1 (0.47) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL8260614 0.79 KDM1A (0.51) SIGMAR1DRD2CYP2C19
SCHEMBL2758036 0.79 SIGMAR1 (0.70) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL30291382 0.77 SIGMAR1 (0.58) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL11704179 0.77 SIGMAR1 (0.58) SIGMAR1EBPTP53CYP1A2CYP3A4

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-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 SIGMAR1 4442/4885EBP 1825/4885TP53 1/4885

“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.