SCHEMBL22024917

SCHEMBL22024917

CCCCC(C)(CCC)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP19A1 P11511 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNA5 P22460 3/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL21419383 0.97 TDP1 (0.47) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL23665185 0.95 CNR1 (0.48) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL18852714 0.94 CNR1 (0.50) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL21135408 0.93 CNR1 (0.49) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL21369405 0.93 CYP19A1 (0.49) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL20733673 0.92 CNR1 (0.51) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL19738708 0.92 CNR1 (0.51) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL19059550 0.92 TDP1 (0.50) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL22023778 0.90 CNR1 (0.52) TDP1L3MBTL1CYP19A1CNR1CNR2
SCHEMBL21727173 0.90 CNR1 (0.52) TDP1L3MBTL1CYP19A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20230117898-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2023-04-20 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 US disclosed
US-20210040080-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2021-02-11 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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 (9 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-20230117898-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS MGAT3, ST3GAL3, ST6GAL1 TDP1 2557/4885L3MBTL1 4727/4885CYP19A1 3737/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB TDP1 2934/4885L3MBTL1 4229/4885CYP19A1 20/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 TDP1 1580/4885L3MBTL1 4814/4885CYP19A1 2721/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 TDP1 1105/4885L3MBTL1 1511/4885CYP19A1 3807/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 TDP1 1105/4885L3MBTL1 1511/4885CYP19A1 3807/4885
US-20210040080-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS MGAT3, ST6GAL1, ST3GAL3 TDP1 2412/4885L3MBTL1 4644/4885CYP19A1 3281/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF TDP1 4189/4885L3MBTL1 4720/4885CYP19A1 867/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A TDP1 429/4885L3MBTL1 4519/4885CYP19A1 167/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF TDP1 4189/4885L3MBTL1 4720/4885CYP19A1 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.