SCHEMBL26607342

SCHEMBL26607342

COc1cc2c(cc1C)CC(C)(C)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
NTSR1 P30989 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.34

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
SCHEMBL26607183 0.87 MAPT (0.36) MAPTCYP3A4ALDH1A1KDM4ELMNA
SCHEMBL26607094 0.87 MAPT (0.36) MAPTCYP3A4ALDH1A1KDM4ELMNA
SCHEMBL22953307 0.78 MAPT (0.71) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL12595457 0.78 MAPT (0.71) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL30573001 0.78 HTR2C (0.55) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL26607269 0.78 HTR2C (0.55) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL13508341 0.76 MAPT (0.76) MAPTCYP3A4ALDH1A1KDM4ETAAR1
SCHEMBL12994067 0.76 MAPT (0.68) MAPTCYP3A4ALDH1A1KDM4ELMNA
SCHEMBL6174277 0.74 MAPT (0.46) MAPTCYP3A4ALDH1A1KDM4ELMNA
SCHEMBL361694 0.74 MAPT (0.46) MAPTCYP3A4ALDH1A1KDM4EMEN1

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 MAPT 2089/4885CYP3A4 685/4885ALDH1A1 1762/4885

“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.