SCHEMBL826412

SCHEMBL826412

O=C1[C@H](O)CCN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
DDB1 Q16531 3/20 0.49
CRBN Q96SW2 3/20 0.49
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 1/20 0.47
FPR1 P21462 1/20 0.46
FPR2 P25090 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.44
USP30 Q70CQ3 1/20 0.43
ROCK2 O75116 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL3083319 1.00 MEN1 (0.50) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL826237 1.00 MEN1 (0.50) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL3984910 0.89 KMT2A (0.47) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL4847013 0.83 DDB1 (0.43) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL18048717 0.81 ROCK2 (0.50) MEN1KMT2AHDAC8HDAC6HDAC1
SCHEMBL16422794 0.81 FPR2 (0.48) MEN1KMT2ARAB9AFPR2ROCK2
SCHEMBL5846834 0.81 ROCK2 (0.50) MEN1KMT2AHDAC8HDAC6HDAC1
SCHEMBL4573116 0.81 CCNA2 (0.38) DDB1CRBNHDAC8HDAC6HDAC1
SCHEMBL18048847 0.81 ROCK2 (0.50) MEN1KMT2AHDAC8HDAC6HDAC1
SCHEMBL11066860 0.81 NPC1 (0.47) MEN1KMT2ANPC1RAB9ADDB1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 US disclosed
EP-2307412-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 WO disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 WO disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 US disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 US disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 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 (3 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-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MEN1 2498/4885KMT2A 2855/4885NPC1 415/4885
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MEN1 2498/4885KMT2A 2855/4885NPC1 415/4885
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MEN1 2498/4885KMT2A 2855/4885NPC1 415/4885

“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.