SCHEMBL21788784

SCHEMBL21788784

CCCCC(C)(CCCC)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP19A1 P11511 1/20 0.40
CHRM2 P08172 1/20 0.39
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX12 P18054 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL22024919 0.96 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL21191715 0.96 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL21191655 0.95 LMNA (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL18745361 0.95 LMNA (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL19059408 0.95 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL18760495 0.93 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL18923249 0.93 LMNA (0.42) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL18612675 0.93 LMNA (0.42) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL20980158 0.93 LMNA (0.42) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL18468195 0.93 LMNA (0.42) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-16 US disclosed
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-06-28 US disclosed
US-20220009906-A1 ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 US disclosed
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-07-29 US disclosed
US-20200255428-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-08-13 US disclosed
US-20200071326-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS INC (US) 2020-03-05 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 (6 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-20200071326-A1 TAM KINASE INHIBITORS PIK3CA, MAP3K1, MAP3K5 SMN1; SMN2 4570/4885L3MBTL1 2882/4885CYP1A2 3366/4885
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 SMN1; SMN2 2608/4885L3MBTL1 4789/4885CYP1A2 1790/4885
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP SMN1; SMN2 348/4885L3MBTL1 2700/4885CYP1A2 1891/4885
US-20220009906-A1 ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS GRK2, GRK3, GRK4 SMN1; SMN2 3686/4885L3MBTL1 3378/4885CYP1A2 1990/4885
US-20200255428-A1 CHEMICAL COMPOUNDS HAVCR2, HBS1L, HLA-B SMN1; SMN2 4818/4885L3MBTL1 3122/4885CYP1A2 1118/4885
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP SMN1; SMN2 348/4885L3MBTL1 2700/4885CYP1A2 1891/4885

“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.