SCHEMBL3836217

SCHEMBL3836217

CC(C)(C)OC(=O)NCCc1ccc(N2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.54
▸ CNR1 P21554 8/20 0.53
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CNR2 P34972 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ CTSK P43235 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL25320726 0.92 SIGMAR1 (0.52) NAMPTCNR1CA1CA2SIGMAR1
SCHEMBL3706363 0.90 NAMPT (0.52) NAMPTCA1CA2SIGMAR1SMN1; SMN2
SCHEMBL23291239 0.90 NAMPT (0.55) NAMPTCA1CA2CNR2SIGMAR1
SCHEMBL22957300 0.89 NAMPT (0.51) NAMPTCA1CA2
SCHEMBL21457821 0.88 NAMPT (0.53) NAMPTCNR1CA1CA2SIGMAR1
SCHEMBL20946394 0.86 KMT2A (0.55) NAMPTCA1CA2SMN1; SMN2MEN1
SCHEMBL22957303 0.86 USP28 (0.51) NAMPTCNR1CA1CA2SIGMAR1
SCHEMBL21396291 0.85 SMN1; SMN2 (0.54) NAMPTSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL3868915 0.84 NAMPT (0.54) NAMPTCA1CA2SIGMAR1DRD2
SCHEMBL19211125 0.80 SIGMAR1 (0.52) NAMPTCA1CA2SIGMAR1SMN1; SMN2

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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 — — US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 — — EP disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 — — WO disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 — — US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 — — EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 — — US disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 — — US disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 — — EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 — — WO 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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 NAMPT 2648/4885CNR1 1324/4885CA1 4408/4885
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C NAMPT 3043/4885CNR1 133/4885CA1 3851/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C NAMPT 3043/4885CNR1 133/4885CA1 3851/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 NAMPT 4063/4885CNR1 208/4885CA1 1482/4885

“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.

Send feedback