SCHEMBL3158649

SCHEMBL3158649

COc1cccc(C2CCC[N]2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
GID4 Q8IVV7 1/20 0.47
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
DRD2 P14416 2/20 0.44
ADRA1A P35348 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 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
SCHEMBL3035320 0.95 HTR2C (0.49) HTR2CGID4HTR2AHTR2BDRD2
SCHEMBL3169257 0.78 HTR2C (0.46) HTR2CHTR2AHTR2BDRD2KDM4E
SCHEMBL2218295 0.77 HTR2C (0.54) HTR2CHTR2AHTR2BADRA1ADDB1
SCHEMBL1366546 0.75 HTR2C (0.55) HTR2CGID4HTR2AHTR2BDRD2
SCHEMBL3151536 0.75 TAAR1 (0.47) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL7354887 0.75 KDM1A (0.49) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL7844832 0.74 HTR2C (0.72) HTR2CGID4HTR2AHTR2BDRD2
SCHEMBL1515075 0.74 HTR2C (0.72) HTR2CGID4HTR2AHTR2BDRD2
SCHEMBL6558765 0.73 HTR2C (0.45) HTR2CHTR2AHTR2BDRD2MEN1
SCHEMBL1366191 0.73 HTR2C (0.66) HTR2CGID4HTR2AHTR2BDRD2

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 10 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
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 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 HTR2C 773/4885GID4 3320/4885HTR2A 1246/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HTR2C 773/4885GID4 3320/4885HTR2A 1246/4885

“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.