SCHEMBL25002290

SCHEMBL25002290

C[C@@H]1Cc2c([nH]c3ccccc23)C(c2cc(F)c(OC3CN(CCCF)C3)c(F)c2)N1CC(C)(C)F

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 20/20 0.79
▸ CYP3A4 P08684 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL17839229 1.00 ESR1 (0.79) ESR1CYP3A4KCNH2
SCHEMBL30123864 1.00 ESR1 (0.79) ESR1CYP3A4KCNH2
SCHEMBL30123773 0.97 ESR1 (0.78) ESR1
SCHEMBL17839193 0.97 ESR1 (0.78) ESR1
SCHEMBL17839580 0.92 ESR1 (0.76) ESR1KCNH2
SCHEMBL21725032 0.92 ESR1 (0.76) ESR1KCNH2
SCHEMBL30123889 0.92 ESR1 (0.76) ESR1KCNH2
SCHEMBL17839179 0.89 ESR1 (0.79) ESR1
SCHEMBL30123563 0.89 ESR1 (0.79) ESR1
SCHEMBL31412777 0.88 ESR1 (1.00) ESR1

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-20230045776-A9 TETRAHYDRO- PYRIDO[3,4- b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2023-02-09 — — 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-20230045776-A9 TETRAHYDRO- PYRIDO[3,4- b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 ESR1 3/4885CYP3A4 162/4885KCNH2 4144/4885

“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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