SCHEMBL18909511

SCHEMBL18909511

CCCCCC(C)(CCCC)c1cncnc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18852713 0.98 CNR2 (0.37) CYP19A1CNR2CNR1ESR1ESR2
SCHEMBL18721019 0.98 CNR2 (0.37) CYP19A1CNR2CNR1ESR1ESR2
SCHEMBL22007446 0.98 CYP19A1 (0.37) CYP19A1CNR2CNR1TDP1L3MBTL1
SCHEMBL19251185 0.96 CNR2 (0.38) CYP19A1CNR2CNR1TDP1L3MBTL1
SCHEMBL19251056 0.96 CNR2 (0.38) CYP19A1CNR2CNR1TDP1L3MBTL1
SCHEMBL18935500 0.96 CNR2 (0.38) CYP19A1CNR2CNR1TDP1L3MBTL1
SCHEMBL19251174 0.96 CNR2 (0.38) CYP19A1CNR2CNR1TDP1L3MBTL1
SCHEMBL18382253 0.96 CYP19A1 (0.38) CYP19A1CNR2CNR1ESR1ESR2
SCHEMBL19251062 0.93 CNR2 (0.36) CYP19A1CNR2CNR1ESR1ESR2
SCHEMBL22169010 0.92 CYP19A1 (0.36) CYP19A1ESR1ESR2

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 7 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-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-9932341-B2 Use of pyrazolopyrimidine derivatives for the treatment of PI3K-delta related disorders INCYTE CORPORATION (US) 2018-04-03 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 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 (5 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 CYP19A1 2908/4885CNR2 4584/4885CNR1 3756/4885
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 CYP19A1 884/4885CNR2 2890/4885CNR1 2120/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 CYP19A1 884/4885CNR2 2890/4885CNR1 2120/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CYP19A1 867/4885CNR2 2902/4885CNR1 2040/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CYP19A1 867/4885CNR2 2902/4885CNR1 2040/4885

“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.