SCHEMBL21237331

SCHEMBL21237331

CC(C)(C)c1cccc2cc(N3CC[C@@H](C(=O)I)C3)ncc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 13/20 0.40
▸ RBP4 P02753 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.35
▸ NOTUM Q6P988 2/20 0.35
▸ MPL P40238 1/20 0.35
▸ CLK2 P49760 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34

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
SCHEMBL21237392 0.88 CREBBP (0.51) CREBBPDGAT2NOTUM
SCHEMBL21237196 0.88 CREBBP (0.51) CREBBPNOTUM
SCHEMBL21237201 0.88 CREBBP (0.51) CREBBPNOTUM
SCHEMBL21237243 0.82 CREBBP (0.43) CREBBP
SCHEMBL21237241 0.82 CREBBP (0.43) CREBBPCLK2LRRK2KCNH2SCN5A
SCHEMBL21237247 0.82 CREBBP (0.43) CREBBP
SCHEMBL21237185 0.79 CREBBP (0.46) CREBBPLRRK2
SCHEMBL21237184 0.79 CREBBP (0.46) CREBBPLRRK2
SCHEMBL21237469 0.79 HRH4 (0.46) CREBBP
SCHEMBL21237249 0.79 HRH4 (0.49) —

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-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — 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-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP CREBBP 3/4885RBP4 2680/4885DGAT2 3712/4885

“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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