SCHEMBL287764

SCHEMBL287764

CC1(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ BCL9 O00512 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ MGLL Q99685 2/20 0.46
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42

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
SCHEMBL288509 0.94 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL3373334 0.94 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL14974562 0.93 GAA (0.50) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL14975215 0.90 GAA (0.48) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL15232712 0.87 GAA (0.50) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL29880603 0.84 ALDH1A1 (0.48) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL288139 0.82 BCL9 (0.54) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL26374 0.81 GAA (0.65) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL31286751 0.81 GAA (0.47) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL29716297 0.80 BCL9 (0.51) GAABCL9CTNNB1HTR2ASMN1; 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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 — — US disclosed
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2024-11-14 — — US disclosed
CN-115215886-B Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2024-10-11 — — CN disclosed
CN-115215886-A Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2022-10-21 — — CN disclosed
EP-4059934-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS Novartis AG (CH) 2022-09-21 — — EP disclosed
CN-109641899-B Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2022-07-22 — — CN disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 — — US disclosed
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 — — US disclosed
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 — — US disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 — — EP disclosed
WO-2010006191-A1 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-14 — — WO disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 — — US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 — — US disclosed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 — — WO disclosed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 — — WO disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 — — WO disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 — — WO disclosed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 — — WO disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — 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 (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-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 GAA 182/4885BCL9 611/4885CTNNB1 4681/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 GAA 294/4885BCL9 807/4885CTNNB1 1528/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 GAA 294/4885BCL9 807/4885CTNNB1 1528/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GAA 979/4885BCL9 1803/4885CTNNB1 3127/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 GAA 3612/4885BCL9 2332/4885CTNNB1 3049/4885

“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.

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