SCHEMBL20733699

SCHEMBL20733699

CCCC(C)(CCC)c1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.40
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 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
SCHEMBL22169010 0.92 CYP19A1 (0.36) CYP19A1ESR1ESR2
SCHEMBL19251240 0.91 CYP19A1 (0.42) CYP19A1ESR1ESR2
SCHEMBL19251062 0.89 CNR2 (0.36) CYP19A1ESR1ESR2
SCHEMBL18382253 0.87 CYP19A1 (0.38) CYP19A1ESR1ESR2
SCHEMBL22007446 0.85 CYP19A1 (0.37) CYP19A1
SCHEMBL19251056 0.84 CNR2 (0.38) CYP19A1
SCHEMBL18935500 0.84 CNR2 (0.38) CYP19A1
SCHEMBL18909511 0.84 CYP19A1 (0.36) CYP19A1ESR1ESR2
SCHEMBL19251185 0.84 CNR2 (0.38) CYP19A1
SCHEMBL19251174 0.84 CNR2 (0.38) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2019-02-14 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 (4 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CYP19A1 293/4885ESR1 2830/4885ESR2 3452/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 CYP19A1 580/4885ESR1 252/4885ESR2 1045/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CYP19A1 867/4885ESR1 1662/4885ESR2 2553/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CYP19A1 867/4885ESR1 1662/4885ESR2 2553/4885

“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.