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SCHEMBL26615968

SCHEMBL26615968

CC(C)(C)n1cc(C(=O)O)c(C2CCC(F)(F)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ CHRNA7 P36544 2/20 0.33
▸ TEAD1 P28347 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33
▸ TEAD2 Q15562 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL26615836 0.89 ALDH1A1 (0.38) AKT1AKT2AKT3CHRNA7TEAD1
SCHEMBL31746171 0.83 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL26740132 0.80 TGFBR1 (0.32) TGFBR1
SCHEMBL26615977 0.79 EPHX2 (0.35) TGFBR1EPHX2
SCHEMBL26616050 0.79 EPHX2 (0.35) TGFBR1EPHX2
SCHEMBL29333825 0.75 EPHX2 (0.39) TBK1KDM4EMEN1ALDH1A1HPGD
SCHEMBL26615993 0.70 AKT1 (0.36) AKT1AKT2AKT3CHRNA7TBK1
SCHEMBL26615726 0.69 AKT1 (0.36) AKT1AKT2AKT3TBK1KDM5A
SCHEMBL28976609 0.69 TEAD1 (0.36) AKT1AKT2AKT3CHRNA7TEAD1
SCHEMBL23612009 0.69 TBK1 (0.45) AKT1AKT2AKT3CHRNA7TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 — — US disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 — — CN disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 — — EP disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 — — US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 — — US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 — — US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO 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 (2 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-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 AKT1 2832/4885AKT2 2942/4885AKT3 2353/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 AKT1 2832/4885AKT2 2942/4885AKT3 2353/4885

“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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