SCHEMBL463590

SCHEMBL463590

CC(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.62
GRM4 Q14833 1/20 0.57
MAP2K1 Q02750 1/20 0.54
EPHX1 P07099 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDR P35968 1/20 0.50
KIF11 P52732 1/20 0.49
CDK8 P49336 1/20 0.48
BLM P54132 1/20 0.48
WRN Q14191 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 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
SCHEMBL13547902 0.86 ALDH1A1 (0.59) ARL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL1192735 0.86 MAP2K1 (0.54) ARMAP2K1EPHX1L3MBTL1KDR
SCHEMBL17988061 0.84 MAP2K1 (0.55) MAP2K1EPHX1L3MBTL1KDRKIF11
SCHEMBL1904289 0.84 AR (0.64) ARGRM4KDRCDK8BLM
SCHEMBL9891509 0.83 AR (0.63) ARGRM4L3MBTL1KDRCDK8
SCHEMBL1380778 0.83 AR (0.58) ARGRM4KDRKIF11CDK8
SCHEMBL20560568 0.83 GRM4 (0.61) ARGRM4KDRCDK8BLM
SCHEMBL8530877 0.83 AR (0.58) ARGRM4L3MBTL1KDRCDK8
SCHEMBL9807561 0.83 MAP2K1 (0.54) GRM4MAP2K1EPHX1L3MBTL1KDR
SCHEMBL5561662 0.83 MAP2K1 (0.54) MAP2K1EPHX1L3MBTL1KDRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022122773-A1 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE ASTRAZENECA AB (SE) 2022-06-16 WO disclosed
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 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 (5 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AR 688/4885GRM4 303/4885MAP2K1 2267/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AR 903/4885GRM4 260/4885MAP2K1 2432/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 AR 2399/4885GRM4 944/4885MAP2K1 3362/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 AR 2399/4885GRM4 944/4885MAP2K1 3362/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 AR 2399/4885GRM4 944/4885MAP2K1 3362/4885

“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.