SCHEMBL24943615

SCHEMBL24943615

CC(C)c1cc2ccc(C(C)(C)C)cc2n1CF

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 11/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ DNMT1 P26358 3/20 0.34
▸ PGR P06401 1/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ PTGES2 Q9H7Z7 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
SCHEMBL24943790 0.86 CCR9 (0.39) CCR9KCNH2DNMT1PGRRORA
SCHEMBL21341338 0.85 CCR9 (0.40) CCR9DNMT1
SCHEMBL24630643 0.80 CASR (0.38) CCR9
SCHEMBL21341612 0.80 CCR9 (0.39) CCR9KCNH2DNMT1PGRRORA
SCHEMBL24943301 0.78 KCNH2 (0.39) CCR9KCNH2
SCHEMBL21341730 0.76 KCNH2 (0.35) CCR9KCNH2RORARORCRORB
SCHEMBL24630637 0.76 CCR9 (0.37) CCR9KCNH2PGRRORARORC
SCHEMBL21341731 0.73 KCNH2 (0.33) CCR9KCNH2
SCHEMBL24944393 0.72 OPRM1 (0.35) KCNH2
SCHEMBL24943810 0.72 CCR9 (0.37) CCR9DNMT1

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 CCR9 3518/4885KCNH2 4406/4885DNMT1 4716/4885

“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.

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