SCHEMBL5758149

SCHEMBL5758149

O=C(N1CCC(O)CC1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.46
EPHX2 P34913 3/20 0.44
KDM1A O60341 1/20 0.42
RIPK1 Q13546 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
GRM5 P41594 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LIPE Q05469 1/20 0.34

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
SCHEMBL22596144 0.92 EPHX1 (0.42) EPHX1EPHX2KDM1ARIPK1TRPV1
SCHEMBL4999465 0.87 EPHX1 (0.41) EPHX1EPHX2KDM1ARIPK1
SCHEMBL12452605 0.83 HSP90AA1 (0.40) EPHX1HSP90AA1HSP90AB1LIPE
SCHEMBL470951 0.80 ALDH1A1 (0.48) EPHX1EPHX2KDM1ANPC1
SCHEMBL4131266 0.80 EPHX1 (0.45) EPHX1EPHX2KDM1ARIPK1
SCHEMBL8486161 0.80 EPHX1 (0.45) EPHX1EPHX2KDM1ARIPK1ESR1
SCHEMBL1470211 0.80 EPHX1 (0.42) EPHX1EPHX2KDM1AESR1ESR2
SCHEMBL8164423 0.80
Hydrochloric Acid SCHEMBL2798175 0.78 EPHX1 (0.44) EPHX1EPHX2KDM1ARIPK1
Hydrochloric Acid SCHEMBL2794765 0.78 EPHX1 (0.44) EPHX1EPHX2KDM1ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166103-A EGFR inhibitor and application thereof 江苏先声药业有限公司 2021-07-23 CN disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-20170183308-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-06-29 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
EP-1428534-B1 BENZOFURAZAN DERIVATIVES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES UNIV CALIFORNIA (US) 2006-05-17 EP disclosed
EP-1428534-A1 BENZOFURAZAN DERIVATIVES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES The Regents of the University of California (US) 2004-06-16 EP disclosed
EP-0960105-B1 BENZOFURAZAN COMPOUNDS THAT ENHANCE AMPA RECEPTOR ACTIVITY UNIV CALIFORNIA (US) 2004-05-12 EP disclosed
US-6730677-B2 TREATING MEMORY IMPAIRMENT; ENHANCE EXCITATORY SYNAPTIC ACTIVITY IN ORDER TO RESTORE AN IMBALANCE BETWEEN BRAIN SUBREGIONS, AS IN TREATMENT OF SCHIZOPHRENIA OR SCHIZOPHRENIFORM BEHAVIOR. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-05-04 US disclosed
US-20020055508-A1 Treating memory impairment; enhance excitatory synaptic activity in order to restore an imbalance between brain subregions, as in treatment of schizophrenia or schizophreniform behavior. CORTEX PHARMACEUTICALS, INC. 2002-05-09 US disclosed
US-20020055498-A1 Benzofurazan compounds for enhancing glutamatergic synaptic responses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-05-09 US disclosed
US-6313115-B1 ALLEVIATE IMPAIRMENT OF MEMORY, OR OTHER COGNITIVE FUNCTIONS CAUSED BY HYPOGLUTAMATERGIC CONDITION OR BY DEFICIENCY IN NUMBER OR STRENGTH OF EXCITATORY SYNAPSES OR IN NUMBER OF AMPA RECEPTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-06 US disclosed
US-6110935-A A PROMOTER FOR N-METHYL-D-ASPARTIC ACID (NMDA) RECEPTORS, USEFUL FOR SUCH THERAPEUTIC PURPOSES AS FACILITATING THE LEARNING OF BEHAVIORS, TREATING SCHIZOPHRENIA, MEMORY IMPAIRMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-29 US disclosed
EP-0960105-A1 BENZOFURAZAN COMPOUNDS WHICH ENHANCE AMPA RECEPTOR ACTIVITY The Regents of the University of California (US) 1999-12-01 EP disclosed
WO-1998035950-A1 BENZOFURAZAN COMPOUNDS WHICH ENHANCE AMPA RECEPTOR ACTIVITY CORTEX PHARMACEUTICALS, INC. (US) 1998-08-20 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-20170183308-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A EPHX1 1289/4885EPHX2 1894/4885KDM1A 2/4885
US-20020055498-A1 Benzofurazan compounds for enhancing glutamatergic synaptic responses GRIN1, GABRE, GABRG1 EPHX1 770/4885EPHX2 2534/4885KDM1A 2069/4885
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 EPHX1 2805/4885EPHX2 1639/4885KDM1A 4284/4885
US-20020055508-A1 Treating memory impairment; enhance excitatory synaptic activity in order to restore an imbalance between brain subregions, as in treatment of schizophrenia or schizophreniform behavior. GRIN1, GABRE, GRM1 EPHX1 566/4885EPHX2 1549/4885KDM1A 2453/4885

“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.