SCHEMBL13277686

SCHEMBL13277686

c1ccc(C2CNCCC23CNCCO3)nc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL13277562 0.80 HTR2A (0.37) CYP2D6SLC6A2
SCHEMBL13276950 0.75
SCHEMBL30711689 0.67 DRD2 (0.45)
SCHEMBL22325 0.67 DRD2 (0.45)
SCHEMBL29620035 0.67 DDB1 (0.36) GSK3BALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL17559201 0.67 SLC6A2 (0.36) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8155047 0.66
SCHEMBL26153822 0.65 SLC6A2 (0.45) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL26153825 0.65 SLC6A2 (0.45) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL16795106 0.65 SLC6A2 (0.45) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 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 (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-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 GSK3B 4212/4885ALDH1A1 1738/4885HPGD 2480/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 GSK3B 4212/4885ALDH1A1 1738/4885HPGD 2480/4885

“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.