SCHEMBL19251174

SCHEMBL19251174

CCCCCCCC(C)(CCCCCC)c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.38
CNR1 P21554 8/20 0.38
CYP19A1 P11511 3/20 0.36
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 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
SCHEMBL19251185 1.00 CNR2 (0.38) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL19251056 1.00 CNR2 (0.38) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL18935500 1.00 CNR2 (0.38) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL18852713 0.98 CNR2 (0.37) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL18721019 0.98 CNR2 (0.37) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL22007446 0.98 CYP19A1 (0.37) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL19251062 0.96 CNR2 (0.36) CNR2CNR1CYP19A1
SCHEMBL18909511 0.96 CYP19A1 (0.36) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL19135597 0.93 CYP19A1 (0.38) CNR2CNR1CYP19A1
SCHEMBL18382253 0.92 CYP19A1 (0.38) CNR2CNR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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 (3 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-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 CNR2 2890/4885CNR1 2120/4885CYP19A1 884/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 CNR2 2890/4885CNR1 2120/4885CYP19A1 884/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B CNR2 4387/4885CNR1 4057/4885CYP19A1 231/4885

“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.