SCHEMBL344971

SCHEMBL344971

CCOC(=O)C(C#N)=C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ADORA1 P30542 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 1/20 0.39
USP2 O75604 1/20 0.39
CTSK P43235 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
ATM Q13315 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13155039 0.95 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL31465204 0.93 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL21680263 0.85 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL17886653 0.82 USP2 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2673712 0.82 ADORA1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2330634 0.82 MEN1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL26970143 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2397782 0.81 ADORA1 (0.46) KMT2ASMN1; SMN2HPGDADORA1GRM5
SCHEMBL16554034 0.81 KMT2A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4408862 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 CN disclosed
WO-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 WO disclosed
EP-3357925-B1 SALT TYPE AND CRYSTAL TYPE OF 4H-PYRAZOLO [1, 5-ALPHA]BENZIMIDAZOLE COMPOUND AND PREPARATION METHOD AND INTERMEDIATE THEREOF HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2021-10-27 EP disclosed
EP-3357925-B1 SALT TYPE AND CRYSTAL TYPE OF 4H-PYRAZOLO [1, 5-ALPHA]BENZIMIDAZOLE COMPOUND AND PREPARATION METHOD AND INTERMEDIATE THEREOF HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2021-10-27 EP disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10941150-B2 Salt type and crystal type of 4h-pyrazolo [1, 5-alpha] benzimidazole compound and preparation method and intermediate thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2021-03-09 US disclosed
US-10941150-B2 Salt type and crystal type of 4h-pyrazolo [1, 5-alpha] benzimidazole compound and preparation method and intermediate thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2021-03-09 US disclosed
CN-108137598-B Salt form and crystal form of 4H-pyrazolo [1, 5-alpha ] benzimidazole compound, and preparation method and intermediate thereof 湖北生物医药产业技术研究院有限公司 2021-02-12 CN disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 WO disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
US-20060183904-A1 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
EP-1613601-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co. Inc. (US) 2006-01-11 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 WO disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004089307-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO. INC. (US) 2004-10-21 WO disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-10941150-B2 Salt type and crystal type of 4h-pyrazolo [1, 5-alpha] benzimidazole compound and preparation method and intermediate thereof BRI3BP, REN, SCN4A MEN1 1401/4885KMT2A 860/4885ALDH1A1 711/4885
US-20060183904-A1 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R MEN1 1517/4885KMT2A 1132/4885ALDH1A1 1882/4885
US-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 MEN1 1789/4885KMT2A 3763/4885ALDH1A1 4078/4885
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A MEN1 3321/4885KMT2A 1848/4885ALDH1A1 1169/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 MEN1 4561/4885KMT2A 4565/4885ALDH1A1 2787/4885

“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.