SCHEMBL6538866

SCHEMBL6538866

O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.67
HSD11B1 P28845 1/20 0.62
PRKAB2 O43741 1/20 0.60
PRKAG1 P54619 1/20 0.60
PRKAA2 P54646 1/20 0.60
PRKAA1 Q13131 1/20 0.60
PRKAG3 Q9UGI9 1/20 0.60
PRKAG2 Q9UGJ0 1/20 0.60
PRKAB1 Q9Y478 1/20 0.60
S1PR2 O95136 1/20 0.58
NAMPT P43490 3/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LIPE Q05469 1/20 0.55
KIT P10721 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL13873393 0.84 CYP2C9 (0.76) EPHX2HSD11B1CYP2C9CYP2C19LIPE
SCHEMBL1147132 0.83 EPHX2 (0.58) EPHX2HSD11B1LIPEHRH3
SCHEMBL15170994 0.83 EPHX2 (0.76) EPHX2
SCHEMBL4558228 0.82 EPHX2 (0.91) EPHX2NAMPTCYP2C9CYP2C19
SCHEMBL15387520 0.81 EPHX2 (0.56) EPHX2HSD11B1NAMPTLIPE
SCHEMBL12893826 0.81 EPHX2 (0.59) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7972857 0.81 HSD11B1 (0.62) EPHX2HSD11B1S1PR2LIPEHRH3
SCHEMBL3940878 0.81 EPHX2 (1.00) EPHX2HRH3
SCHEMBL10253415 0.81 CNR2 (0.80) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13873283 0.80 EPHX2 (1.00) EPHX2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092528-A1 Agent for modulating excitatory synaptic transmission comprising a compound having alpha7 nicotinic acetylcholine receptor activation property FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
US-6710043-B1 POSSESS THE POTENTIATION OF THE CHOLINERGIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20040014745-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-01-22 US disclosed
EP-1315494-A1 AGENT FOR MODULATING EXCITATORY SYNAPTIC TRANSMISSION COMPRISING A COMPOUND HAVING ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-04 EP disclosed
EP-1235575-A2 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed
WO-2002020016-A1 AGENT FOR MODULATING EXCITATORY SYNAPTIC TRANSMISSION COMPRISING A COMPOUND HAVING ALPHA α7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO, LTD (JP) 2002-03-14 WO disclosed
WO-2000072834-A9 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-20 WO disclosed
EP-1140836-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000072834-A2 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-07 WO disclosed
WO-2000042011-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-20 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 (2 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-20040014745-A1 Amide compounds CHRM1, CHRM2, CHRNE EPHX2 328/4885HSD11B1 701/4885PRKAB2 2081/4885
US-20040092528-A1 Agent for modulating excitatory synaptic transmission comprising a compound having alpha7 nicotinic acetylcholine receptor activation property CHRNA7, CHRNA5, CHRNA10 EPHX2 1280/4885HSD11B1 3168/4885PRKAB2 1798/4885

“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.