SCHEMBL22023779

SCHEMBL22023779

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
KCNH2 Q12809 3/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
HPGD P15428 1/20 0.31
GRIN2B Q13224 3/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL22024373 0.95 TRPV4 (0.39) TRPV4NR1H2NR1H3PSEN1PSEN2
SCHEMBL21191578 0.94 TRPV4 (0.38) TRPV4NR1H2NR1H3PSEN1PSEN2
SCHEMBL23634137 0.94 TRPV4 (0.42) TRPV4ESR1ESR2NR1H2NR1H3
SCHEMBL22023804 0.91 TRPV4 (0.40) TRPV4ESR1ESR2NR1H2NR1H3
SCHEMBL19388376 0.88 TRPV4 (0.40) TRPV4NR1H2NR1H3PSEN1PSEN2
SCHEMBL24876756 0.88 TRPV4 (0.40) TRPV4NR1H2NR1H3PSEN1PSEN2
SCHEMBL23845820 0.87 TRPV4 (0.47) TRPV4ESR1ESR2NR1H2NR1H3
SCHEMBL21191574 0.87 TRPV4 (0.39) TRPV4ESR1ESR2NR1H2NR1H3
SCHEMBL21123750 0.84 TRPV4 (0.42) TRPV4ESR1ESR2NR1H2NR1H3
SCHEMBL20031198 0.82 HPGD (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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 (4 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-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS TRPV4 4179/4885ESR1 1800/4885ESR2 2576/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 TRPV4 1472/4885ESR1 755/4885ESR2 338/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF TRPV4 4231/4885ESR1 1662/4885ESR2 2553/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF TRPV4 4231/4885ESR1 1662/4885ESR2 2553/4885

“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.