Sugi Predict

Sugi Predict / Compounds / SCHEMBL658030

SCHEMBL658030

SCHEMBL658030

CC(C)(CN)OC(=O)[C@H]1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ SLC6A1 P30531 4/20 0.47
▸ SLC6A11 P48066 3/20 0.47
▸ SLC6A13 Q9NSD5 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NOS2 P35228 1/20 0.42
▸ ALOX15 P16050 1/20 0.33
▸ CPN1 P15169 2/20 0.33
▸ CPB2 Q96IY4 2/20 0.33
▸ CD274 Q9NZQ7 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32

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
SCHEMBL691260 1.00 KDM4E (0.50) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL660798 1.00 KDM4E (0.50) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL659836 0.92 MAPT (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL690050 0.92 MAPT (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL661356 0.92 MAPT (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2425678 0.89 KDM4E (0.49) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL6586194 0.86 SLC6A1 (0.49) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL363474 0.83 GABRP (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2461649 0.83 CHRNB2 (0.36) NOS2
SCHEMBL17732326 0.83 KDM4E (0.36) KDM4EMAPTKMT2AATMCYP2D6

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
EP-3810136-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 — — EP disclosed
EP-3810593-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 — — EP disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
EP-3555087-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2019-10-23 — — EP disclosed
WO-2018109202-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 — — WO disclosed
US-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 — — US disclosed
US-8604218-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 — — US disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 — — US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 — — US disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
EP-2300457-A1 SUBSTITUTED PYRROLES AND METHODS OF USE Genentech, Inc. (US) 2011-03-30 — — EP disclosed
WO-2010096703-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-08-26 — — WO disclosed
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
WO-2009151599-A1 SUBSTITUTED PYRROLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 — — WO disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
EP-1663211-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP disclosed
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-11-24 — — US disclosed
WO-2005013982-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 — — 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 (4 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-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 KDM4E 1941/4885MAPT 186/4885KMT2A 2573/4885
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 KDM4E 1941/4885MAPT 186/4885KMT2A 2573/4885
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 KDM4E 1081/4885MAPT 599/4885KMT2A 508/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 KDM4E 1941/4885MAPT 186/4885KMT2A 2573/4885

“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.