SCHEMBL21123750

SCHEMBL21123750

CCCCC(C)(C)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
CNR2 P34972 11/20 0.38
CNR1 P21554 6/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PTGS2 P35354 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TKT P29401 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGS1 P23219 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
SCHEMBL24962216 0.90 TRPV4 (0.44) TRPV4CNR2NR1H2NR1H3ALDH1A1
SCHEMBL23634137 0.87 TRPV4 (0.42) TRPV4ESR1ESR2PTGS2NR1H2
SCHEMBL22023804 0.84 TRPV4 (0.40) TRPV4CNR2CNR1ESR1ESR2
SCHEMBL22023779 0.84 TRPV4 (0.40) TRPV4ESR1ESR2PTGS2NR1H2
SCHEMBL19388193 0.83 TRPV4 (0.47) TRPV4NR1H2NR1H3ALDH1A1PKM
SCHEMBL24876756 0.81 TRPV4 (0.40) TRPV4CNR2CNR1PTGS2NR1H2
SCHEMBL19388376 0.81 TRPV4 (0.40) TRPV4CNR2CNR1PTGS2NR1H2
SCHEMBL23007649 0.81 TRPV4 (0.42) TRPV4PTGS2ALDH1A1PKMTKT
SCHEMBL21191574 0.80 TRPV4 (0.39) TRPV4CNR2CNR1ESR1ESR2
SCHEMBL22024373 0.80 TRPV4 (0.39) TRPV4CNR2CNR1PTGS2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
US-10793504-B2 Methods for cross coupling RECURIUM IP HOLDINGS, LLC (US) 2020-10-06 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-20190202769-A1 METHODS FOR CROSS COUPLING RECURIUM IP HOLDINGS, LLC 2019-07-04 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 (6 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-20190202769-A1 METHODS FOR CROSS COUPLING F2, C5, C9 TRPV4 4694/4885CNR2 743/4885CNR1 606/4885
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 TRPV4 4461/4885CNR2 2890/4885CNR1 2120/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 TRPV4 4461/4885CNR2 2890/4885CNR1 2120/4885
US-10793504-B2 Methods for cross coupling F2, C5, C9 TRPV4 4694/4885CNR2 743/4885CNR1 606/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF TRPV4 4231/4885CNR2 2902/4885CNR1 2040/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF TRPV4 4231/4885CNR2 2902/4885CNR1 2040/4885

“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.