SCHEMBL3160971

SCHEMBL3160971

CC1(COc2ccccc2)CCC[N]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
PKM P14618 1/20 0.35
PARP1 P09874 1/20 0.35
KCNA3 P22001 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL24780612 0.72 KCNA3 (0.44) PKMPARP1KCNA3HPGDALOX15
SCHEMBL1968441 0.69 BACE1 (0.43) DHFRMAOAMAOB
SCHEMBL2300236 0.68 KCNA3 (0.40) PKMKCNA3ALOX15MAOAMAOB
SCHEMBL9577039 0.67 KCNA3 (0.43) KCNA3RAB9A
SCHEMBL27527783 0.67 TDP1 (0.39) PKMKCNA3MAOAMAOBLTA4H
SCHEMBL4588666 0.66 KCNA3 (0.41) KCNA3ALOX15LTA4HRAB9A
SCHEMBL667989 0.66 KCNA3 (0.41) PKMKCNA3ALOX15LTA4H
SCHEMBL4205437 0.66 TAAR1 (0.42) KCNA3MAOAMAOBLTA4H
SCHEMBL19091769 0.66 KCNA3 (0.41) PKMKCNA3ALOX15LTA4H
SCHEMBL1824875 0.65 MAOA (0.48) KCNA3ALOX15MAOAMAOBLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 DHFR 2866/4885PKM 2728/4885PARP1 4584/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 DHFR 2866/4885PKM 2728/4885PARP1 4584/4885

“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.