SCHEMBL3168151

SCHEMBL3168151

Clc1cccc(OCN2CCOCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
TP53 P04637 1/20 0.64
TSHR P16473 1/20 0.64
FKBP1A P62942 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
CYP2D6 P10635 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL21749204 0.81 HRH3 (0.76) KDM4ETP53TSHRSMN1; SMN2MAPK1
SCHEMBL4562977 0.81 SMN1; SMN2 (0.50) KDM4ETSHRSMN1; SMN2MAPK1HTT
SCHEMBL9051947 0.80 ALDH1A1 (0.55) KDM4ETSHRSMN1; SMN2MAPK1HTT
SCHEMBL255055 0.80 ESR1 (0.58) KDM4ETSHRMAPK1HTTKMT2A
SCHEMBL2037211 0.76 CHRNB2 (0.51) KDM4ESMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4115394 0.72 SIGMAR1 (0.72) KDM4ESMN1; SMN2HTTMAPTKMT2A
SCHEMBL8508104 0.72 DRD4 (0.54) KDM4ETSHRSMN1; SMN2HTTLMNA
SCHEMBL14578276 0.71 ALDH1A1 (0.69) KDM4ETP53TSHRSMN1; SMN2MAPK1
SCHEMBL14100110 0.70 ESR1 (0.49) TSHRSMN1; SMN2MAPK1LMNAHRH3
SCHEMBL8927890 0.70 SMN1; SMN2 (0.65) KDM4EFKBP1ASMN1; SMN2MAPK1LMNA

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-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
EP-0730593-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-09-11 EP disclosed
WO-1995014690-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 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 KDM4E 1973/4885TP53 4855/4885TSHR 4222/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KDM4E 1973/4885TP53 4855/4885TSHR 4222/4885

“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.