SCHEMBL21135408

SCHEMBL21135408

CCCCCC(C)(CCCC)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP19A1 P11511 2/20 0.44
KCNA5 P22460 2/20 0.41
KCNH2 Q12809 2/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL19738708 0.98 CNR1 (0.51) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL20733673 0.98 CNR1 (0.51) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL19059550 0.98 TDP1 (0.50) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL22023778 0.97 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL19004816 0.97 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL21727173 0.97 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL19004815 0.97 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL21419383 0.97 TDP1 (0.47) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL23665185 0.95 CNR1 (0.48) CNR1CNR2TDP1L3MBTL1CYP19A1
SCHEMBL18852714 0.94 CNR1 (0.50) CNR1CNR2TDP1L3MBTL1CYP19A1

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20190194136-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF UNIV NEW YORK (US) 2019-06-27 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CNR1 1646/4885CNR2 1380/4885TDP1 1532/4885
US-20190194136-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, HMGB1, GPR119 CNR1 349/4885CNR2 511/4885TDP1 1686/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CNR1 2040/4885CNR2 2902/4885TDP1 4189/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CNR1 2040/4885CNR2 2902/4885TDP1 4189/4885

“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.