SCHEMBL16820171

SCHEMBL16820171

CCOC(=O)[C@]1(C)CC[C@@](O)(c2c[nH]cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
POLB P06746 2/20 0.35
OPRM1 P35372 7/20 0.35
KDM4E B2RXH2 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16820172 1.00 BRD4 (0.38) BRD4POLBOPRM1KDM4ESLC22A1
SCHEMBL16840124 1.00 BRD4 (0.38) BRD4POLBOPRM1KDM4ESLC22A1
SCHEMBL16820226 0.79 SYK (0.41) POLBMAPTKMT2A
SCHEMBL16820224 0.79 SYK (0.41) POLBMAPTKMT2A
SCHEMBL16820225 0.79 SYK (0.41) POLBMAPTKMT2A
SCHEMBL15486843 0.77
SCHEMBL16820250 0.75 KDM4E (0.32) KDM4E
SCHEMBL16840097 0.72 MEN1 (0.35) MEN1KMT2A
SCHEMBL2289941 0.72
SCHEMBL9325639 0.71 OPRM1 (0.46) BRD4POLBOPRM1SLC22A1SLC6A4

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-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 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-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK BRD4 1376/4885POLB 2542/4885OPRM1 4544/4885

“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.