SCHEMBL26615787

SCHEMBL26615787

Cc1cc(C#N)c(N2CCCC(F)(F)CC2)nc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ KDM4E B2RXH2 9/20 0.44
▸ ALOX15 P16050 5/20 0.44
▸ CASP1 P29466 5/20 0.44
▸ CASP7 P55210 5/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ TSHR P16473 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SCN10A Q9Y5Y9 2/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL26615947 0.87 KDM4E (0.39) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL26738490 0.85 SCN10A (0.39) SCN10A
SCHEMBL30631474 0.84 MBOAT4 (0.40) SCN10A
SCHEMBL26615699 0.84 MBOAT4 (0.40) SCN10A
SCHEMBL26615910 0.81 SCN10A (0.39) SCN10A
SCHEMBL21906177 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL21906039 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL26615749 0.78 SCN10A (0.47) SCN10A
SCHEMBL21906158 0.78 SCN10A (0.44) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL26738452 0.77 SCN10A (0.41) SCN10A

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-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
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 ALDH1A1 1762/4885KDM4E 4346/4885ALOX15 694/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885KDM4E 4346/4885ALOX15 694/4885

“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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