SCHEMBL1285572

SCHEMBL1285572

CC(=O)OC1CC2(C)CCC(C2)C1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.38
CHRM1 P11229 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP3A4 P08684 2/20 0.33
CHRM4 P08173 2/20 0.32
CHRM3 P20309 2/20 0.32
EPHX2 P34913 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD11B1 P28845 1/20 0.30
CYP2C9 P11712 1/20 0.30
MTOR P42345 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1285256 0.84 EPHX2 (0.30) EPHX2
SCHEMBL19638262 0.69 CYP3A4 (0.36) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL1285655 0.69
SCHEMBL27439117 0.65 CHRM2 (0.38) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL2172992 0.64 CHRM2 (0.39) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL7675335 0.64 CHRM2 (0.35) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL24059815 0.63 SLC6A12 (0.38) MEN1KMT2ACYP2D6EPHX2ALOX15
SCHEMBL16534886 0.63
SCHEMBL11870986 0.62 CHRM2 (0.34) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL20142222 0.62 CHRM2 (0.42) CHRM2CHRM1MEN1KMT2ACYP2D6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357357-B2 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-01-22 US claimed
US-20120087884-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US claimed
US-20120087886-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US claimed
US-8071529-B1 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US claimed
US-8415391-B2 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-04-09 US disclosed
US-8415391-B2 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-04-09 US disclosed
US-8415391-B2 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-04-09 US disclosed
US-8357357-B2 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-01-22 US disclosed
US-8357357-B2 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-01-22 US disclosed
US-8357357-B2 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-01-22 US disclosed
US-20120087884-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US disclosed
US-20120087886-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US disclosed
US-20120087886-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US disclosed
US-20120087884-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US disclosed
US-20120087886-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US disclosed
US-20120087884-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-04-12 US disclosed
US-8071529-B1 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US disclosed
US-8071529-B1 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US disclosed
US-8071529-B1 3.2.1-bicyclo-octene and -octane compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 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-20120087884-A1 NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS TRPA1, TRPV1, CYP51A1 CHRM2 3144/4885CHRM1 2536/4885MEN1 2909/4885

“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.