SCHEMBL4820236

SCHEMBL4820236

CCOC(=O)c1cnn2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PDE3B Q13370 5/20 0.44
PDE3A Q14432 5/20 0.44
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL2929945 0.96 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL16794181 0.83 DRD3 (0.52) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3549356 0.79 KDM4E (0.41) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL15017805 0.79 ALDH1A1 (0.43) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL2929584 0.79 KDM4E (0.41) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL29777592 0.78 DRD3 (0.54) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL16814051 0.78 NTRK1 (0.40) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL29777576 0.77 DRD3 (0.53) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL18183915 0.76 SMN1; SMN2 (0.44) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL1208389 0.76 LMNA (0.45) LMNAALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
EP-2844658-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS GENENTECH, INC. (US) 2015-02-19 US disclosed
WO-2013164323-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-11-07 WO disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-7276611-B2 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2007-10-02 US disclosed
US-7276611-B2 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2007-10-02 US disclosed
US-7276611-B2 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION (US) 2007-10-02 US disclosed
CN-1823074-A Process for synthesizing beta-lactamase inhibitor intermediates WYETH CORP (US) 2006-08-23 CN disclosed
EP-1626972-A1 PROCESS FOR SYNTHESIZING ß-LACTAMASE INHIBITOR INTERMEDIATES Wyeth Holdings Corporation (US) 2006-02-22 EP disclosed
EP-1626975-A2 PROCESS FOR SYNTHESIZING ß-LACTAMASE INHIBITOR IN INTERMEDIATES Wyeth Holdings Corporation (US) 2006-02-22 EP disclosed
WO-2004104006-A2 PROCESS FOR SYNTHESIZING β-LACTAMASE INHIBITOR IN INTERMEDIATES WYETH HOLDINGS CORPORATION (US) 2004-12-02 WO disclosed
US-20040242874-A1 Process for synthesizing beta-lactamase inhibitor intermediates WYETH HOLDINGS CORPORATION 2004-12-02 US disclosed
WO-2004104008-A1 PROCESS FOR SYNTHESIZING β-LACTAMASE INHIBITOR INTERMEDIATES WYETH HOLDINGS CORPORATION (US) 2004-12-02 WO disclosed
US-20040229324-A1 Production of bicyclic-heteroaryl-2-carboxylic acids by selective enzymatic hydrolysis of a mixture of positional esters WYETH HOLDINGS CORPORATION 2004-11-18 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 (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-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS LRRK2, PARK7, PINK1 LMNA 3588/4885ALDH1A1 2479/4885KDM4E 3741/4885
US-20040229324-A1 Production of bicyclic-heteroaryl-2-carboxylic acids by selective enzymatic hydrolysis of a mixture of positional esters COASY, CES2, CES1 LMNA 2646/4885ALDH1A1 438/4885KDM4E 598/4885
US-20040242874-A1 Process for synthesizing beta-lactamase inhibitor intermediates COASY, DCXR, MGAM LMNA 266/4885ALDH1A1 541/4885KDM4E 612/4885
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 LMNA 3217/4885ALDH1A1 3647/4885KDM4E 2085/4885

“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.