Sugi Predict

Sugi Predict / Compounds / SCHEMBL20733673

SCHEMBL20733673

SCHEMBL20733673

CCCCCCC(C)(CCCC)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KCNA5 P22460 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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 1.00 CNR1 (0.51) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL22023778 0.98 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL21727173 0.98 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL19004815 0.98 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL19004816 0.98 CNR1 (0.52) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL21135408 0.98 CNR1 (0.49) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL19059550 0.97 TDP1 (0.50) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL18852714 0.95 CNR1 (0.50) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL21419383 0.95 TDP1 (0.47) CNR1CNR2TDP1L3MBTL1KCNA5
SCHEMBL23665185 0.94 CNR1 (0.48) CNR1CNR2TDP1L3MBTL1KCNA5

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-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 — — US disclosed
US-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 — — US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 — — US disclosed
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2019-02-14 — — 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-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 CNR1 2120/4885CNR2 2890/4885TDP1 4070/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA CNR1 3425/4885CNR2 3728/4885TDP1 688/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 CNR1 2120/4885CNR2 2890/4885TDP1 4070/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 CNR1 124/4885CNR2 192/4885TDP1 1766/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT CNR1 653/4885CNR2 314/4885TDP1 1396/4885

“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.