SCHEMBL19251056

SCHEMBL19251056

CCCCCCC(C)(CCCCC)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
SCHEMBL18935500 1.00 CNR2 (0.38) CNR2CNR1CYP19A1TDP1L3MBTL1
SCHEMBL19251174 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 14 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-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-05 US disclosed
US-11059817-B2 Potent antiviral pyrazolopyridine compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-13 US disclosed
US-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION 2021-06-10 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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS PFIZER INC. 2020-01-16 US disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 US disclosed
US-10183908-B2 Compositions for the treatment of kidney and/or liver disease VECTUS BIOSYSTEMS LIMITED (AU) 2019-01-22 US disclosed
US-20180037539-A1 COMPOSITIONS FOR THE TREATMENT OF KIDNEY AND/OR LIVER DISEASE VECTUS BIOSYSTEMS LIMITED (AU) 2018-02-08 US disclosed
US-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-11-30 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 (13 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-10183908-B2 Compositions for the treatment of kidney and/or liver disease FABP1, SLC10A1, GLS CNR2 1291/4885CNR1 1305/4885CYP19A1 2988/4885
US-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CNR2 1066/4885CNR1 1176/4885CYP19A1 526/4885
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 CNR2 2890/4885CNR1 2120/4885CYP19A1 884/4885
US-20180037539-A1 COMPOSITIONS FOR THE TREATMENT OF KIDNEY AND/OR LIVER DISEASE FABP1, SLC10A1, GLS CNR2 1291/4885CNR1 1305/4885CYP19A1 2988/4885
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CNR2 887/4885CNR1 585/4885CYP19A1 2077/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CNR2 4524/4885CNR1 4239/4885CYP19A1 293/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CNR2 887/4885CNR1 585/4885CYP19A1 2077/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CNR2 887/4885CNR1 585/4885CYP19A1 2077/4885
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, CYP1B1 CNR2 2140/4885CNR1 1760/4885CYP19A1 25/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 CNR2 2890/4885CNR1 2120/4885CYP19A1 884/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CNR2 2902/4885CNR1 2040/4885CYP19A1 867/4885
US-11059817-B2 Potent antiviral pyrazolopyridine compounds MAVS, VRK1, VRK2 CNR2 3923/4885CNR1 3702/4885CYP19A1 4810/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CNR2 2902/4885CNR1 2040/4885CYP19A1 867/4885

“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.