SCHEMBL13110102

SCHEMBL13110102

CC(C)(C)n1cccnc1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMPD3 Q9NY59 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ AXL P30530 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ PDE6D O43924 1/20 0.30
▸ PDE8A O60658 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ PDE9A O76083 1/20 0.30
▸ PDE8B O95263 1/20 0.30
▸ PDE6A P16499 1/20 0.30
▸ PDE6G P18545 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE6B P35913 1/20 0.30

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
SCHEMBL22297522 0.80 ALDH1A1 (0.33) CDAMAPTALDH1A1LMNAHPGD
SCHEMBL12921937 0.79 ALDH1A1 (0.30) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11735192 0.79 SMPD3 (0.34) SMPD3
SCHEMBL6665593 0.78 HSD17B10 (0.33) CDAMAPTSMPD3ALDH1A1LMNA
SCHEMBL724529 0.70 — —
SCHEMBL20673977 0.70 — —
SCHEMBL26750142 0.69 DRD2 (0.37) CDAMAPT
SCHEMBL13965757 0.66 DRD2 (0.45) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7055387 0.65 — —
SCHEMBL10403486 0.65 — —

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-07-18 — — US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 — — US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 — — US disclosed
US-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins AVILAR THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
US-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins AVILAR THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 — — US disclosed
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 — — US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 — — US disclosed
US-20210230680-A1 Modified Nucleobases with Uniform H-Bonding Interactions, Homo- and Hetero-Basepair Bias, and Mismatch Discrimination CARNEGIE MELLON UNIVERSITY 2021-07-29 — — US disclosed
US-20200399295-A1 CANCER TREATMENT WITH (2,2-BISHYDROXYMETHYL) METHYLENECYCLOPROPANE NUCLEOTIDES MEDIVIR AB (SE) 2020-12-24 — — US disclosed
US-9593107-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-14 — — US disclosed
US-20150376180-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-31 — — US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 — — US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 — — US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 — — US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 — — US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 — — US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — 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 (12 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-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins ASGR1, ENGASE, FCGR2A CDA 3708/4885MAPT 4521/4885SMPD3 419/4885
US-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 CDA 4618/4885MAPT 750/4885SMPD3 928/4885
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 CDA 4583/4885MAPT 3245/4885SMPD3 4330/4885
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 CDA 4678/4885MAPT 766/4885SMPD3 1721/4885
US-20210230680-A1 Modified Nucleobases with Uniform H-Bonding Interactions, Homo- and Hetero-Basepair Bias, and Mismatch Discrimination POLL, PNKP, POLM CDA 92/4885MAPT 3832/4885SMPD3 4744/4885
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A CDA 1156/4885MAPT 4775/4885SMPD3 3327/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 CDA 4577/4885MAPT 711/4885SMPD3 875/4885
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR2 CDA 3858/4885MAPT 4810/4885SMPD3 4045/4885
US-20150376180-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES RECQL, QDPR, NDUFC2 CDA 4199/4885MAPT 2207/4885SMPD3 4122/4885
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS M6PR, ASGR1, IGF2R CDA 3477/4885MAPT 3700/4885SMPD3 401/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 CDA 4789/4885MAPT 3809/4885SMPD3 685/4885
US-20200399295-A1 CANCER TREATMENT WITH (2,2-BISHYDROXYMETHYL) METHYLENECYCLOPROPANE NUCLEOTIDES PNP, NUDT1, TYMP CDA 240/4885MAPT 4777/4885SMPD3 2279/4885

“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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