SCHEMBL24950445

SCHEMBL24950445

CCc1cc(C(C)C)cnc1CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PSMB5 P28074 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NR3C1 P04150 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 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
SCHEMBL24369598 0.84 CYP1A2 (0.42)
Ammonia Solution, Strong SCHEMBL28938119 0.80 NOS1 (0.32) NOS1NOS2
SCHEMBL26788485 0.80 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL24478694 0.79
SCHEMBL84356 0.78 NOS3 (0.40) NOS3NOS1NOS2GABRPGABRD
SCHEMBL25658891 0.78 RXRA (0.32)
SCHEMBL19788233 0.78 GABRA1 (0.38) ALOX15ALOX12GABRA1GABRB2
SCHEMBL26138226 0.78 CRHR1 (0.33) NR3C1
SCHEMBL24595033 0.77 CYP1A2 (0.35) NOS3NOS1NOS2GABRPGABRD
SCHEMBL20642457 0.76 AR (0.32) NOS3NOS1NOS2GABRPGABRD

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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS ALUMIS INC. 2023-01-26 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 NOS3 2440/4885NOS1 1710/4885NOS2 1728/4885
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS TYK2, JAK1, PDXK NOS3 4046/4885NOS1 3755/4885NOS2 3820/4885

“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.