SCHEMBL9969506

SCHEMBL9969506

CC(C)(C)CC(F)(F)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM2 P08172 2/20 0.40
AHR P35869 1/20 0.40
CETP P11597 5/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
BLM P54132 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL16234253 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2AHRGAA
SCHEMBL7742363 0.78 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2AHRNPC1
SCHEMBL16132511 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2AHRCETP
SCHEMBL15160582 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2AHRCETP
SCHEMBL13237137 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2AHRCETP
SCHEMBL29603679 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2AHRCETP
SCHEMBL29994502 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2AHRCETP
SCHEMBL17189971 0.77 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CHRM2AHRGAA
SCHEMBL17490343 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1CHRM2AHRCETP
SCHEMBL5854793 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2AHRCETP

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
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (6 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 SMN1; SMN2 2993/4885L3MBTL1 3302/4885CHRM2 1854/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 SMN1; SMN2 2993/4885L3MBTL1 3302/4885CHRM2 1854/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC SMN1; SMN2 3139/4885L3MBTL1 3458/4885CHRM2 3436/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 SMN1; SMN2 2993/4885L3MBTL1 3302/4885CHRM2 1854/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SMN1; SMN2 2666/4885L3MBTL1 3942/4885CHRM2 437/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SMN1; SMN2 2666/4885L3MBTL1 3942/4885CHRM2 437/4885

“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.