SCHEMBL26616014

SCHEMBL26616014

O=C(O)c1ccc(C2CC(F)(F)C2)cc1C1CCC(F)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.43
ACMSD Q8TDX5 2/20 0.39
CAMKK2 Q96RR4 9/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
STAT3 P40763 1/20 0.35
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 5/20 0.34
CAMKK1 Q8N5S9 6/20 0.34
KDM1A O60341 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
SCHEMBL26608273 0.84 TBK1 (0.41) TBK1ACMSDCAMKK2CAMKK1
SCHEMBL26758267 0.84 TBK1 (0.41) TBK1ACMSDCAMKK2CAMKK1
SCHEMBL26615959 0.84 HDAC1 (0.36) TBK1HDAC1HDAC2KDM1A
SCHEMBL26615896 0.77 TDP1 (0.43) TBK1CAMKK2CAMKK1
SCHEMBL26615751 0.77 HDAC1 (0.32) HDAC1HDAC2
SCHEMBL27376358 0.76 CYP2C9 (0.42) TBK1CAMKK2CAMKK1
SCHEMBL26739283 0.70 SCN9A (0.37) TBK1
SCHEMBL3497010 0.70 S1PR4 (0.45) HDAC1S1PR4S1PR1S1PR3S1PR5
SCHEMBL3494372 0.70 S1PR4 (0.45) HDAC1S1PR4S1PR1S1PR3S1PR5
SCHEMBL5425884 0.70 S1PR4 (0.45) HDAC1S1PR4S1PR1S1PR3S1PR5

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 TBK1 1492/4885ACMSD 1561/4885CAMKK2 332/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 TBK1 1492/4885ACMSD 1561/4885CAMKK2 332/4885

“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.