SCHEMBL21740905

SCHEMBL21740905

CC(C)(C)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HTR2B P41595 1/20 0.63
MAPK14 Q16539 1/20 0.63
MGLL Q99685 1/20 0.59
HSD11B1 P28845 1/20 0.55
CYP3A4 P08684 1/20 0.54
RBP4 P02753 1/20 0.52
SCD O00767 4/20 0.51
CHRM1 P11229 1/20 0.51
NPY2R P49146 1/20 0.48
GBA1 P04062 1/20 0.47

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
SCHEMBL4618974 0.83 CYP2C9 (0.66) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL29783896 0.82 CYP2C9 (0.68) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL18997024 0.80 HCRTR1 (0.54) HSD11B1CYP3A4RBP4SCDNPY2R
SCHEMBL4716887 0.80 SCD (0.56) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL13983799 0.80 SCD (0.62) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL10304326 0.79 CYP2C9 (0.60) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL23573376 0.78 CYP2C9 (0.64) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL4262448 0.78 CYP2C9 (0.63) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL2006284 0.78 CYP2C9 (0.59) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL3661780 0.78 CYP2C9 (0.60) CYP2C9CYP2C19HTR2BMAPK14MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS CYP2C9 4867/4885CYP2C19 4884/4885HTR2B 4872/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP2C9 4867/4885CYP2C19 4884/4885HTR2B 4872/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP2C9 4867/4885CYP2C19 4884/4885HTR2B 4872/4885

“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.