SCHEMBL21237648

SCHEMBL21237648

CC(C)C(C)c1cccc2cc(N3CCC(F)C3)ncc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 9/20 0.46
▸ LRRK2 Q5S007 6/20 0.40
▸ SOS1 Q07889 4/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ KRAS P01116 1/20 0.36

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
SCHEMBL19662787 0.82 CREBBP (0.47) CREBBPLRRK2HTR3A
SCHEMBL21237241 0.79 CREBBP (0.43) CREBBPLRRK2SOS1HTR3A
SCHEMBL21237250 0.78 CREBBP (0.49) CREBBPSOS1HTR3AKRAS
SCHEMBL21237477 0.76 CREBBP (0.47) CREBBPLRRK2
SCHEMBL21237580 0.72 CREBBP (0.53) CREBBPSOS1
SCHEMBL19662790 0.71 CREBBP (0.50) CREBBPLRRK2SOS1HTR3A
SCHEMBL23762011 0.69 CREBBP (0.47) CREBBPHTR3A
SCHEMBL19662997 0.69 CREBBP (0.47) CREBBPHTR3A
SCHEMBL24368090 0.69 SOS1 (0.48) CREBBPSOS1HTR3AKRAS
SCHEMBL19662984 0.69 CREBBP (0.47) CREBBPHTR3A

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 3/4885LRRK2 1327/4885SOS1 3470/4885

“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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