Sugi Predict

Sugi Predict / Compounds / SCHEMBL1268074

SCHEMBL1268074

SCHEMBL1268074

O=C(OCc1ccccc1)N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ CYP2C19 P33261 1/20 0.54
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA7 P43166 3/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ PDK1 Q15118 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ PDK3 Q15120 1/20 0.48
▸ PDK4 Q16654 1/20 0.48
▸ TNKS O95271 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47

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
SCHEMBL30793075 0.95 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.85 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.85 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.85 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.85 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL572999 0.85 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21551624 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL20899504 0.84 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.83 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.83 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694330-B1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-19 — — EP disclosed
US-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-02 — — US disclosed
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — US disclosed
WO-2019074809-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 — — WO disclosed
EP-2266978-B1 Novel physiologically active substances EISAI R&D MAN CO LTD (JP) 2015-05-20 — — EP disclosed
US-7893068-B2 Macrolide compounds comprising 18,19-epoxytricosa-8,12,14-trien-11-olide derivatives; angiogenesis inhibitors; anticarcinogenic, antimetastasis, antiinflammatory, and antitumor agents; antihypoxic agents; endothelial growth factor suppressors; retinal neovascularization, diabetic retinopathy MERCIAN CORPORATION (JP) 2011-02-22 — — US disclosed
EP-2266978-A1 Novel physiologically active substances MERCIAN CORPORATION (JP) 2010-12-29 — — EP disclosed
US-7619100-B2 Physiologically active substances MERCIAN CORPORATION (JP) 2009-11-17 — — US disclosed
US-7550503-B2 Physiologically active substances EISAI R& D MANAGEMENT CO., LTD. (JP) 2009-06-23 — — US disclosed
US-20080275059-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES KOTAKE YOSHIHIKO 2008-11-06 — — US disclosed
US-20080255146-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES MICROBIOPHARM JAPAN CO., LTD. (JP) 2008-10-16 — — US disclosed
US-20060241171-A1 Novel physiologically active substances MICROBIOPHARM JAPAN CO., LTD. (JP) 2006-10-26 — — US disclosed
US-20060009439-A1 Novel physiologically active substances MERCIAN CORPORATION (JP) 2006-01-12 — — US disclosed
EP-1508570-A1 NOVEL PHYSIOLGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-02-23 — — EP 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 (6 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-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, GRK2, CLK2 MEN1 3956/4885KMT2A 2388/4885NPSR1 3916/4885
US-20060241171-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA MEN1 2851/4885KMT2A 3994/4885NPSR1 50/4885
US-20060009439-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA MEN1 2851/4885KMT2A 3994/4885NPSR1 50/4885
US-20080275059-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES HIF1A, HIF1AN, VEGFA MEN1 2851/4885KMT2A 3994/4885NPSR1 50/4885
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, GRK2, CLK2 MEN1 3956/4885KMT2A 2388/4885NPSR1 3916/4885
US-20080255146-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES HIF1A, HIF1AN, VEGFA MEN1 2851/4885KMT2A 3994/4885NPSR1 50/4885

“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.