SCHEMBL26023591

SCHEMBL26023591

CC(C)C(C)Cc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.43
▸ KIF11 P52732 2/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ AR P10275 8/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ ELANE P08246 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
SCHEMBL1797974 0.88 TRPV4 (0.45) TRPV4KIF11TRPA1ARMRGPRX4
SCHEMBL22193269 0.79 TRPV4 (0.53) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL1037550 0.79 TRPV4 (0.49) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL24177142 0.76 TRPV4 (0.50) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL19478936 0.76 TRPV4 (0.46) TRPV4KIF11ARMRGPRX4
SCHEMBL10298852 0.76 TRPV4 (0.49) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL2263818 0.76 TRPV4 (0.49) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL24146520 0.76 RXRA (0.50) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL26020302 0.75 TRPV4 (0.45) TRPV4KIF11ARMRGPRX4
SCHEMBL27929091 0.73 TRPV4 (0.46) TRPV4KIF11TRPA1ARMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 — — 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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 TRPV4 77/4885KIF11 1668/4885TRPA1 44/4885

“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.

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