SCHEMBL3589818

SCHEMBL3589818

O=C(/C=C1\CC2(CCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)N(CCO)CCO2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.38
RORC P51449 2/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
RAF1 P04049 3/20 0.35
NPY5R Q15761 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 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
SCHEMBL3591544 0.90 TRPV1 (0.39) TRPV1HTR1DRAF1TRPM8IDO1
SCHEMBL3591545 0.90 TRPV1 (0.39) TRPV1HTR1DRAF1TRPM8IDO1
SCHEMBL3599573 0.87 RAF1 (0.39) TRPV1RORCRAF1IDO1TDO2
SCHEMBL3599577 0.87 RAF1 (0.39) TRPV1RORCRAF1IDO1TDO2
SCHEMBL3594818 0.86 TRPV1 (0.40) TRPV1RORCHTR1DHTR1BHTR2A
SCHEMBL3596991 0.86 TP53 (0.42) TRPV1RAF1
SCHEMBL3606697 0.85 TRPV1 (0.34) TRPV1NPY5RTRPM8
SCHEMBL3606694 0.85 TRPV1 (0.34) TRPV1NPY5RTRPM8
SCHEMBL3594160 0.83 TRPV1 (0.42) TRPV1RAF1
SCHEMBL3601007 0.81 CYSLTR2 (0.35) TRPV1NPY5RTRPM8

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 3 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
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TRPV1 2518/4885RORC 1478/4885HTR1D 489/4885

“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.