SCHEMBL3591545

SCHEMBL3591545

CN1CCOc2ccc(NC(=O)C=C3CC4(CCC4)Oc4cc(C(F)(F)F)ccc43)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.39
EGFR P00533 2/20 0.39
ITK Q08881 1/20 0.39
BTK Q06187 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1F P30939 1/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
RAF1 P04049 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL3591544 1.00 TRPV1 (0.39) TRPV1EGFRITKBTKTRPM8
SCHEMBL3589818 0.90 TRPV1 (0.38) TRPV1TRPM8HTR1DIDO1TDO2
SCHEMBL3603405 0.87 TRPV1 (0.42) TRPV1EGFRITKBTKHTR1A
SCHEMBL3603402 0.87 TRPV1 (0.42) TRPV1EGFRITKBTKHTR1A
SCHEMBL3599573 0.85 RAF1 (0.39) TRPV1IDO1TDO2RAF1KCNH2
SCHEMBL3599577 0.85 RAF1 (0.39) TRPV1IDO1TDO2RAF1KCNH2
SCHEMBL3588769 0.85 TRPV1 (0.35) TRPV1TRPM8HDAC3HDAC4HDAC1
SCHEMBL3588770 0.85 TRPV1 (0.35) TRPV1TRPM8HDAC3HDAC4HDAC1
SCHEMBL3596991 0.83 TP53 (0.42) TRPV1RAF1
SCHEMBL3592383 0.82 TRPV1 (0.42) TRPV1TRPM8HDAC3HDAC4HDAC1

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 TRPV1 2518/4885EGFR 2294/4885ITK 4553/4885

“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.