SCHEMBL24944385

SCHEMBL24944385

CSC(C)N1CCc2sc(C(C)C)cc2C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.31
CHRM2 P08172 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
OPRM1 P35372 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL19770134 0.84 KMT2A (0.36) ABCB11CHRM2ADORA3AROPRM1
SCHEMBL25091834 0.72 TLR9 (0.42)
SCHEMBL25456677 0.68 MAOA (0.50)
SCHEMBL14925540 0.67 TLR9 (0.41)
SCHEMBL16624079 0.67 PNMT (0.42) ABCB11CHRM2ADORA3AROPRM1
SCHEMBL12090941 0.67 ALDH1A1 (0.45)
SCHEMBL2737322 0.67 ALDH1A1 (0.49)
SCHEMBL21411325 0.66 KCNQ3 (0.39) ABCB11CHRM2ADORA3AROPRM1
SCHEMBL10858296 0.66 KMT2A (0.42) ABCB11CHRM2ADORA3AROPRM1
SCHEMBL16624107 0.66 GRIN2B (0.36) ABCB11CHRM2ADORA3AROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 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 (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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ABCB11 1662/4885CHRM2 2571/4885ADORA3 4037/4885

“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.