SCHEMBL12697215

SCHEMBL12697215

COc1cc(C)ccc1OCCCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.64
L3MBTL3 Q96JM7 1/20 0.64
L3MBTL1 Q9Y468 13/20 0.63
MAPT P10636 11/20 0.63
HPGD P15428 6/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
POLB P06746 3/20 0.63
ALDH1A1 P00352 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
ALOX12 P18054 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL13433956 0.93 ACHE (0.59) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL8234577 0.91 L3MBTL1 (0.65) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL4313583 0.84 ACHE (0.61) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL30292305 0.84 L3MBTL4 (0.53) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL3373256 0.84 L3MBTL1 (0.67) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL10107391 0.84 L3MBTL1 (0.70) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL11890493 0.84 L3MBTL4 (0.66) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL15595696 0.84 L3MBTL1 (0.65) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL2002013 0.82 L3MBTL1 (0.65) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL13962113 0.82 L3MBTL4 (0.64) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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 (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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 L3MBTL4 4820/4885L3MBTL3 4852/4885L3MBTL1 4783/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 L3MBTL4 4820/4885L3MBTL3 4852/4885L3MBTL1 4783/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 L3MBTL4 4745/4885L3MBTL3 4792/4885L3MBTL1 4750/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 L3MBTL4 4057/4885L3MBTL3 4649/4885L3MBTL1 4347/4885

“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.