SCHEMBL24944393

SCHEMBL24944393

CC(C)c1cc2ccc(C(C)(C)C)cc2n1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.35
▸ OPRD1 P41143 8/20 0.35
▸ OPRK1 P41145 8/20 0.35
▸ OPRL1 P41146 8/20 0.35
▸ HSD11B1 P28845 3/20 0.34
▸ CYP11B2 P19099 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21341396 0.94 ALDH1A1 (0.35) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL24943834 0.87 KCNH2 (0.30) KCNH2
SCHEMBL21341397 0.86 KCNH2 (0.32) KCNH2
SCHEMBL21341332 0.80 HSD11B1 (0.36) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL24943301 0.76 KCNH2 (0.39) KCNH2ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL21341730 0.75 KCNH2 (0.35) KCNH2ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24944391 0.75 ALDH1A1 (0.37) HSD11B1CYP11B2KCNH2ALDH1A1SMN1; SMN2
SCHEMBL24943790 0.73 CCR9 (0.39) KCNH2ALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL24943615 0.72 CCR9 (0.38) KCNH2
SCHEMBL21341731 0.72 KCNH2 (0.33) KCNH2ALDH1A1HPGD

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 OPRM1 4244/4885OPRD1 4537/4885OPRK1 2963/4885

“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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