SCHEMBL19085970

SCHEMBL19085970

CC(C)c1n[nH]c(C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ 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
SCHEMBL24968769 0.84 ALDH1A1 (0.37) ALDH1A1CYP2C9
SCHEMBL24495306 0.79 ALDH1A1 (0.35) ALDH1A1CYP2C9
SCHEMBL23818194 0.78 ALDH1A1 (0.30) ALDH1A1CYP2C9
SCHEMBL20462593 0.74 ALDH1A1 (0.31) ALDH1A1CYP2C9
SCHEMBL20464252 0.74 ALDH1A1 (0.34) ALDH1A1CYP2C9
SCHEMBL16016678 0.71 — —
SCHEMBL10159729 0.69 — —
SCHEMBL5946714 0.69 ADORA2A (0.34) —
SCHEMBL12778936 0.69 NPC1 (0.32) ALDH1A1CYP2C9L3MBTL1
SCHEMBL21719365 0.67 AOC3 (0.32) ALDH1A1CYP2C9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — US disclosed
US-11370764-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS INC. (US) 2022-06-28 — — US disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — US disclosed
US-20210002236-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-01-07 — — US disclosed
US-9839639-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 — — US disclosed
US-20170189399-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-06 — — 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 (5 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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ALDH1A1 4441/4885CYP2C9 4734/4885L3MBTL1 3385/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ALDH1A1 4405/4885CYP2C9 4713/4885L3MBTL1 3386/4885
US-20210002236-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 ALDH1A1 4505/4885CYP2C9 4879/4885L3MBTL1 1049/4885
US-11370764-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 ALDH1A1 4505/4885CYP2C9 4879/4885L3MBTL1 1049/4885
US-20170189399-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 2655/4885CYP2C9 1674/4885L3MBTL1 1795/4885

“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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