SCHEMBL24825898

SCHEMBL24825898

OCC1(c2ccc3occc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
CYP2A6 P11509 2/20 0.39
CTNNB1 P35222 4/20 0.38
WNT3A P56704 4/20 0.38
DYRK1A Q13627 3/20 0.37
CDK9 P50750 1/20 0.36
HTR1B P28222 5/20 0.36
EPM2A O95278 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN6 P29350 1/20 0.36
CDC14A Q9UNH5 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL1602147 0.72 HTR1D (0.40) SLC6A4SLC6A2CYP2A6CTNNB1WNT3A
SCHEMBL1465387 0.72 SLC6A2 (0.43) SLC6A4SLC6A2CYP2A6CTNNB1WNT3A
SCHEMBL13365170 0.71 SLC6A2 (0.45) SLC6A4SLC6A2CYP2A6CTNNB1WNT3A
SCHEMBL17656346 0.71 SLC6A2 (0.48) SLC6A4SLC6A2CYP2A6CTNNB1WNT3A
SCHEMBL15069387 0.68 SLC6A2 (0.43) SLC6A4SLC6A2CYP2A6CTNNB1WNT3A
SCHEMBL1116496 0.67 CA12 (0.55) CYP2A6CTNNB1WNT3ADYRK1ACDK9
SCHEMBL19594984 0.67 CTNNB1 (0.40) SLC6A4SLC6A2CTNNB1WNT3ASLC6A3
SCHEMBL29240315 0.67 MEN1 (0.49) SLC6A4SLC6A2CYP2A6CTNNB1WNT3A
SCHEMBL28064573 0.66 SLC6A2 (0.41) SLC6A4SLC6A2CYP2A6CTNNB1WNT3A
SCHEMBL10878340 0.66 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SLC6A4 384/4885SLC6A2 347/4885CYP2A6 1094/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SLC6A4 384/4885SLC6A2 347/4885CYP2A6 1094/4885

“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.