SCHEMBL9950559

SCHEMBL9950559

CC(C)(C)C(=O)OC[C@@H]1C[C@]1(CCBr)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
SLC6A2 P23975 8/20 0.34
OPRK1 P41145 2/20 0.33
SLC6A4 P31645 6/20 0.32
OPRM1 P35372 2/20 0.32
SLC22A1 O15245 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRD1 P41143 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.32
SLC6A3 Q01959 5/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL10188807 1.00 NPC1 (0.35) NPC1SLC6A2OPRK1SLC6A4OPRM1
SCHEMBL9950367 0.89 OPRK1 (0.36) NPC1SLC6A2OPRK1SLC6A4OPRM1
SCHEMBL10188802 0.89 OPRK1 (0.36) NPC1SLC6A2OPRK1SLC6A4OPRM1
SCHEMBL9950971 0.74 NPC1 (0.31) NPC1OPRK1SLC6A4OPRM1SLC22A1
SCHEMBL10188803 0.73 NPC1 (0.36) NPC1SLC6A2OPRK1SLC6A4OPRM1
SCHEMBL28055529 0.69 OPRM1 (0.34) NPC1SLC6A2OPRK1SLC6A4OPRM1
SCHEMBL14145380 0.65 ATM (0.41) NPC1LMNA
SCHEMBL27987952 0.64 OPRM1 (0.37) NPC1SLC6A2OPRK1SLC6A4OPRM1
SCHEMBL13720522 0.64 IDO1 (0.43) LMNA
SCHEMBL13720351 0.63 IDO1 (0.42)

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-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 NPC1 710/4885SLC6A2 784/4885OPRK1 61/4885

“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.