SCHEMBL12480905

SCHEMBL12480905

COc1cc(C(=O)N2CCC3(CC2)CC(O)c2ccccc2O3)ccc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.44
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL19289085 0.91 ACACB (0.44) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12542444 0.90 ACACB (0.44) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12481197 0.90 ACACB (0.44) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12481709 0.90 ACACB (0.43) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12697225 0.90 IDO1 (0.45) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12481866 0.90 ACACB (0.43) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12695171 0.90 ACACB (0.43) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12695123 0.90 ACACB (0.43) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12480939 0.89 ACACB (0.42) ACACBKDM4EMEN1KMT2AALDH1A1
SCHEMBL12695115 0.89 ACACB (0.41) ACACBKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
EP-2675812-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-25 EP disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
WO-2012112743-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 ACACB 1430/4885KDM4E 2050/4885MEN1 3240/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 ACACB 1430/4885KDM4E 2050/4885MEN1 3240/4885

“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.