SCHEMBL1698206

SCHEMBL1698206

CC(C)=CCC1CCc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.41
KCNH2 Q12809 11/20 0.41
CHRM3 P20309 2/20 0.36
CXCR4 P61073 2/20 0.36
CYP2D6 P10635 2/20 0.36
SIGMAR1 Q99720 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL1698224 0.88 OPRL1 (0.39) OPRL1KCNH2CHRM3CXCR4CYP2D6
SCHEMBL26123290 0.80 OPRL1 (0.36) OPRL1KCNH2HDAC1HDAC6HCRTR1
SCHEMBL1698203 0.79 OPRL1 (0.34) OPRL1KCNH2
SCHEMBL27907445 0.78 CXCR4 (0.40) OPRL1KCNH2CHRM3CXCR4CYP2D6
SCHEMBL11923507 0.78 DRD2 (0.40) OPRL1KCNH2CXCR4CYP2D6
SCHEMBL14893181 0.78 OPRL1 (0.40) OPRL1KCNH2CXCR4HDAC1HDAC6
SCHEMBL1698230 0.78 OPRL1 (0.37) OPRL1KCNH2CYP2D6HDAC1HDAC6
SCHEMBL3315162 0.74 CXCR4 (0.40) OPRL1KCNH2CHRM3CXCR4CYP2D6
SCHEMBL1698227 0.74 CXCR4 (0.37) OPRL1KCNH2CXCR4CYP2D6
SCHEMBL19839279 0.73 PPARD (0.44) OPRL1KCNH2HDAC1HDAC6HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933231-B2 Organic compounds GIVAUDAN SA 2015-01-13 US claimed
US-20130129655-A1 Organic Compounds GIVAUDAN SA (CH) 2013-05-23 US claimed
EP-2584916-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2013-05-01 EP claimed
WO-2011160254-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO claimed
WO-2011161163-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO claimed
CN-107072911-B Malodor reducing compositions 奇华顿股份有限公司 2020-12-29 CN disclosed
US-8933231-B2 Organic compounds GIVAUDAN SA 2015-01-13 US disclosed
US-8933231-B2 Organic compounds GIVAUDAN SA 2015-01-13 US disclosed
US-8933231-B2 Organic compounds GIVAUDAN SA 2015-01-13 US disclosed
US-20130129655-A1 Organic Compounds GIVAUDAN SA (CH) 2013-05-23 US disclosed
US-20130129655-A1 Organic Compounds GIVAUDAN SA (CH) 2013-05-23 US disclosed
US-20130129655-A1 Organic Compounds GIVAUDAN SA (CH) 2013-05-23 US disclosed
WO-2011160254-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO disclosed
WO-2011160254-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO disclosed
WO-2011161163-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO 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-20130129655-A1 Organic Compounds C9, C5, TRPA1 OPRL1 79/4885KCNH2 165/4885CHRM3 447/4885

“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.