SCHEMBL19760652

SCHEMBL19760652

C[C@H]1Cc2c([nH]c3cccnc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 20/20 0.78

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
SCHEMBL19760665 1.00 ESR1 (0.78) ESR1
SCHEMBL22002256 1.00 ESR1 (0.78) ESR1
SCHEMBL19760655 0.89 ESR1 (0.80) ESR1
SCHEMBL20912809 0.89 ESR1 (0.80) ESR1
SCHEMBL19760671 0.89 ESR1 (0.80) ESR1
SCHEMBL23186410 0.88 ESR1 (1.00) ESR1
SCHEMBL22213720 0.88 ESR1 (1.00) ESR1
SCHEMBL23783505 0.88 ESR1 (1.00) ESR1
SCHEMBL31412777 0.88 ESR1 (1.00) ESR1
SCHEMBL17839263 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472162-B1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-11-17 — — EP disclosed
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2020-05-19 — — US disclosed
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2018-01-04 — — 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 (2 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-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESRRA ESR1 6/4885
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof ESR2, GPER1, ESRRA ESR1 6/4885

“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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