SCHEMBL1102082

SCHEMBL1102082

O=C(CN1CCCc2ccccc21)Nc1ccc(OC(=O)c2nccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CHRM2 P08172 3/20 0.53
CHRM4 P08173 3/20 0.53
CHRM1 P11229 3/20 0.53
ALDH1A1 P00352 10/20 0.52
MAPT P10636 5/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.48
NPC1 O15118 2/20 0.48
CHRM3 P20309 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1102067 0.88 CHRM2 (0.60) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL1102054 0.82 CHRM2 (0.66) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL1091209 0.78 MEN1 (0.64) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL9972185 0.72 SCN3A (0.61) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL9972228 0.70 PKM (0.61) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL29930379 0.70 CHRM2 (1.00) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL28645527 0.70 CHRM2 (1.00) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL9250671 0.69 ALDH1A1 (0.68) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL1102260 0.69 CHRM2 (0.73) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL1102024 0.69 MEN1 (0.64) MEN1KMT2ACHRM2CHRM4CHRM1

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
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
EP-2332912-A1 Heteroarylaminosulfonylphenylderivates for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
EP-2327701-A1 Heteroarylaminosulfonylphenyl derivatives for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-01 EP disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 MEN1 2329/4885KMT2A 3111/4885CHRM2 1093/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MEN1 2329/4885KMT2A 3111/4885CHRM2 1093/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MEN1 2329/4885KMT2A 3111/4885CHRM2 1093/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MEN1 2329/4885KMT2A 3111/4885CHRM2 1093/4885

“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.