SCHEMBL4879579

SCHEMBL4879579

CC(C)(C)OC(=O)N1CC2(CCCCN2Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
EPHX2 P34913 1/20 0.47
STS P08842 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
TACR1 P25103 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL14902797 0.92 EPHX2 (0.55) OPRD1OPRK1EPHX2STSGPR119
SCHEMBL1555874 0.90 OPRD1 (0.49) OPRD1OPRK1EPHX2HDAC1HDAC8
SCHEMBL322502 0.88 OPRD1 (0.48) OPRD1OPRK1EPHX2STSGPR119
SCHEMBL1049597 0.86 OPRD1 (0.49) OPRD1OPRK1EPHX2STSGPR119
SCHEMBL26089523 0.85 OPRD1 (0.46) OPRD1OPRK1EPHX2STSGPR119
SCHEMBL26093055 0.82 OPRD1 (0.44) OPRD1OPRK1EPHX2STSGPR119
SCHEMBL323450 0.81 OPRD1 (0.54) OPRD1OPRK1STSGPR119HDAC1
SCHEMBL30155371 0.81 MEN1 (0.44) OPRD1OPRK1TACR1
SCHEMBL20722852 0.81 OPRD1 (0.45) OPRD1OPRK1EPHX2STSGPR119
SCHEMBL29395081 0.79 OPRD1 (0.46) OPRD1OPRK1EPHX2STSGPR119

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-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS OPRD1 4800/4885OPRK1 4705/4885EPHX2 985/4885

“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.