SCHEMBL26607136

SCHEMBL26607136

COc1cc2c(cc1C)C(C)(C)CCC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
KDM1A O60341 1/20 0.36
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
POLA1 P09884 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL30573101 1.00 RXRA (0.46) RXRARXRBRXRGKDM1ACYP3A4
SCHEMBL6086554 0.93 RXRA (0.46) RXRARXRBRXRGKDM1ACYP3A4
SCHEMBL1496270 0.90 MAPT (0.38) RXRARXRBRXRGCYP3A4MAPT
SCHEMBL4654263 0.83 RXRA (0.37) RXRARXRBRXRGCYP3A4MAPT
SCHEMBL6085848 0.79 HTR2A (0.46) RXRARXRBRXRGPOLA1
SCHEMBL8293241 0.78 RXRA (0.51) RXRARXRBRXRGTAAR1MEN1
SCHEMBL6785200 0.77 MAPT (0.46) RXRACYP3A4MAPTALDH1A1MAPK1
SCHEMBL26733750 0.76 RXRA (0.44) RXRARXRBRXRG
SCHEMBL26606993 0.76 RXRA (0.51) RXRARXRBRXRGCYP3A4MAPT
SCHEMBL6275679 0.74 RXRA (0.47) RXRARXRBRXRGPOLA1MEN1

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
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-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 (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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 RXRA 2023/4885RXRB 2417/4885RXRG 1754/4885

“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.