SCHEMBL1698223

SCHEMBL1698223

CCC(C)C1CCc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.40
KCNH2 Q12809 9/20 0.40
CXCR4 P61073 7/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1698199 0.93 OPRL1 (0.36) OPRL1KCNH2CXCR4DRD2DRD3
SCHEMBL1698222 0.91 CXCR4 (0.44) KCNH2CXCR4
SCHEMBL19435835 0.89 CXCR4 (0.40) OPRL1KCNH2CXCR4
SCHEMBL1698219 0.88 DRD2 (0.38) OPRL1KCNH2CXCR4DRD2DRD3
SCHEMBL1698228 0.86 OPRL1 (0.40) OPRL1KCNH2CXCR4DRD2DRD3
SCHEMBL1698226 0.85 CXCR4 (0.41) KCNH2CXCR4
SCHEMBL25515629 0.83 OPRL1 (0.40) OPRL1KCNH2CXCR4DRD2KDM4E
SCHEMBL2669656 0.83 OPRL1 (0.40) OPRL1KCNH2CXCR4DRD2KDM4E
SCHEMBL1701122 0.81 CXCR4 (0.38) KCNH2CXCR4
SCHEMBL18792200 0.81 CXCR4 (0.40) OPRL1KCNH2CXCR4KDM4E

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
WO-2011160254-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
EP-2584916-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2013-05-01 EP 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
WO-2011161163-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO disclosed
WO-2011160254-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 165/4885CXCR4 1601/4885

“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.