SCHEMBL177080

SCHEMBL177080

CC1(C)[C@H]2CCC(CN)[C@@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.49
RET P07949 1/20 0.49
CAMK1D Q8IU85 1/20 0.49
HDAC6 Q9UBN7 3/20 0.38
TBXA2R P21731 2/20 0.38
ALOX15 P16050 1/20 0.36
EPHX2 P34913 1/20 0.36
CXCR3 P49682 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
S1PR1 P21453 1/20 0.34
CNR2 P34972 1/20 0.33
CNR1 P21554 1/20 0.33
SCN9A Q15858 4/20 0.32
HSD11B1 P28845 1/20 0.32
SCN5A Q14524 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
SCHEMBL1155109 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL11971807 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL177081 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL1595257 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL11026742 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL1250842 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL14325015 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL2811047 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL14393350 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R
SCHEMBL10209588 1.00 MAPK14 (0.49) MAPK14RETCAMK1DHDAC6TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422729-A A kind of chirality azepine polycyclic alcaloid and its synthetic method 中南民族大学 2019-03-05 CN claimed
US-7820715-B2 Crystal comprising (2R)-2-propyloctanoic acid and amine ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US claimed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US claimed
US-20080090907-A1 Crystal Comprising (2R)-2-Propyloctanoic Acid and Amine ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US claimed
EP-1741697-A1 CRYSTAL COMPRISING (2R)-2-PROPYLOCTOIC ACID AND AMINE ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
US-6951961-B2 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-10-04 US claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
US-12472271-B2 HDAC6 inhibitors and imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2025-11-18 US disclosed
EP-4568945-A1 HALOPHTHALIMIDE COMPOUNDS AND METHODS OF USE AGAINST TBI, INFLAMMATORY DISORDER, AUTOIMMUNE DISORDER, NEURODEGENERATIVE DISEASE OR VIRAL INFECTION The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2025-06-18 EP disclosed
EP-4554569-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS Oxford Antibiotic Group GmbH (AT) 2025-05-21 EP disclosed
US-20250120982-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-04-17 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-5210220-A METHOD FOR PREPARING DERIVATIVES OF ASCORBIC ACID HOFFMANN-LA ROCHE INC. (US) 1993-05-11 US disclosed
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed
EP-0471805-A1 METHOD FOR PREPARING DERIVATIVES OF ASCORBIC ACID. HOFFMANN LA ROCHE (CH) 1992-02-26 EP disclosed
WO-1991013895-A1 METHOD FOR PREPARING DERIVATIVES OF ASCORBIC ACID F.HOFFMANN-LA ROCHE AG (CH) 1991-09-19 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-20080090907-A1 Crystal Comprising (2R)-2-Propyloctanoic Acid and Amine TAS2R5, FFAR2, HRH2 MAPK14 2620/4885RET 1132/4885CAMK1D 4203/4885
US-12472271-B2 HDAC6 inhibitors and imaging agents HDAC1, HDAC6, HDAC11 MAPK14 2524/4885RET 4629/4885CAMK1D 2508/4885
US-20250120982-A1 COVALENT TARGETING OF E3 LIGASES STUB1, XIAP, RBX1 MAPK14 4296/4885RET 3655/4885CAMK1D 1981/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS MAPK14 1762/4885RET 1794/4885CAMK1D 2739/4885

“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.