SCHEMBL3599577

SCHEMBL3599577

CCN1CCOc2ccc(NC(=O)C=C3CC4(CCOCC4)Oc4cc(C(F)(F)F)ccc43)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.39
KCNH2 Q12809 2/20 0.39
TRPV1 Q8NER1 2/20 0.36
RORC P51449 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CYP1A2 P05177 1/20 0.35
BRAF P15056 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
SCHEMBL3599573 1.00 RAF1 (0.39) RAF1KCNH2TRPV1RORCIDO1
SCHEMBL3589818 0.87 TRPV1 (0.38) RAF1TRPV1RORCIDO1TDO2
SCHEMBL3606831 0.86 TRPV1 (0.36) TRPV1RORCIDO1TDO2
SCHEMBL3606830 0.86 TRPV1 (0.36) TRPV1RORCIDO1TDO2
SCHEMBL3591545 0.85 TRPV1 (0.39) RAF1KCNH2TRPV1IDO1TDO2
SCHEMBL3591544 0.85 TRPV1 (0.39) RAF1KCNH2TRPV1IDO1TDO2
SCHEMBL3603405 0.81 TRPV1 (0.42) TRPV1IDO1TDO2
SCHEMBL3603402 0.81 TRPV1 (0.42) TRPV1IDO1TDO2
SCHEMBL3595558 0.80 TRPV1 (0.51) RAF1KCNH2TRPV1
SCHEMBL4451688 0.79 RAF1 (0.42) RAF1KCNH2TRPV1CYP1A2BRAF

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 RAF1 1753/4885KCNH2 416/4885TRPV1 2518/4885

“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.