SCHEMBL17066252

SCHEMBL17066252

CCCC1CN(C(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
FYN P06241 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
SCHEMBL21101276 0.84
SCHEMBL15701831 0.82 HRH3 (0.37)
SCHEMBL23507601 0.82 HRH3 (0.37)
SCHEMBL26869099 0.82 HRH3 (0.37)
SCHEMBL2737380 0.79
SCHEMBL20942482 0.79 KCNH2 (0.35)
SCHEMBL18270438 0.79 KCNH2 (0.35)
SCHEMBL21660230 0.78 BRD4 (0.39)
SCHEMBL178288 0.76 HRH3 (0.46)
SCHEMBL20227962 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-20230127326-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 US disclosed
US-9637498-B2 Substituted thieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2017-05-02 US disclosed
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-01-26 US disclosed
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-24 US disclosed
US-9493481-B2 Substituted 5-aminothieno[2,3—C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2016-11-15 US disclosed
US-9446046-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-20 US disclosed
US-20160207935-A1 SUBSTITUTED THIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2016-07-21 US disclosed
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-04 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-9126999-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-08 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 (14 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-20230127326-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR3, TLR9 NOS3 2750/4885NOS1 3933/4885NOS2 4272/4885
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR TLR7, TLR1, TLR9 NOS3 2868/4885NOS1 1982/4885NOS2 3198/4885
US-20230312466-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 NOS3 1943/4885NOS1 1639/4885NOS2 1598/4885
US-20240067614-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, CXCR2 NOS3 1995/4885NOS1 1739/4885NOS2 1592/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 NOS3 4197/4885NOS1 4135/4885NOS2 3899/4885
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 NOS3 2049/4885NOS1 3053/4885NOS2 2247/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 NOS3 3126/4885NOS1 2300/4885NOS2 3284/4885
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 NOS3 3269/4885NOS1 3391/4885NOS2 4031/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 NOS3 4820/4885NOS1 4856/4885NOS2 4840/4885
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 NOS3 3269/4885NOS1 3391/4885NOS2 4031/4885
US-20160207935-A1 SUBSTITUTED THIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM5, CHRM3, CHRM4 NOS3 2080/4885NOS1 2986/4885NOS2 2895/4885
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 NOS3 2324/4885NOS1 2986/4885NOS2 792/4885
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 NOS3 2049/4885NOS1 3053/4885NOS2 2247/4885
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM5, CHRM4, CHRM3 NOS3 1945/4885NOS1 2782/4885NOS2 2797/4885

“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.