SCHEMBL18179475

SCHEMBL18179475

CCCn1ccc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10569844 0.87 CNR1 (0.40) CNR1CNR2KDM4ELMNA
SCHEMBL10222903 0.83 ALDH1A1 (0.36) RAF1HCRTR1HCRTR2SLC6A2SLC6A4
SCHEMBL15417666 0.82 LMNA (0.43) KDM4ELMNA
SCHEMBL19557879 0.82 MAPK14 (0.38) RAF1HCRTR1HCRTR2SLC6A2SLC6A4
SCHEMBL13750404 0.82 SLC6A2 (0.33) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL21325428 0.82 SLC6A2 (0.36) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL23052795 0.79 SLC6A2 (0.32) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL24884359 0.79 HCRTR1 (0.34) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL23985503 0.79 SLC6A2 (0.34) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL22680867 0.79 MPO (0.34) RAF1HCRTR1HCRTR2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242537-A1 IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA N.V. (BE) 2023-08-03 US disclosed
US-20230242537-A1 IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA N.V. (BE) 2023-08-03 US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 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 (3 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-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN RAF1 137/4885HCRTR1 4822/4885HCRTR2 4736/4885
US-20230242537-A1 IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 IL17A, IL23R, IL2 RAF1 1099/4885HCRTR1 2160/4885HCRTR2 2984/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN RAF1 137/4885HCRTR1 4822/4885HCRTR2 4736/4885

“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.