SCHEMBL3169409

SCHEMBL3169409

Cc1ccc(C2(O)CCCC[N]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
OPRD1 P41143 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL3173222 0.81 DRD2 (0.42) KMT2AHSD11B1SLC6A2SLC6A3
SCHEMBL3553606 0.81 AKR1C1 (0.42) SLC6A2SLC6A3
SCHEMBL6833553 0.75 AKR1C1 (0.39) OPRM1OPRK1OPRL1HSD11B1
SCHEMBL11962271 0.71 OPRM1 (0.55) OPRM1OPRK1OPRL1KMT2ASMN1; SMN2
SCHEMBL893223 0.70 OPRM1 (0.53) OPRM1OPRK1OPRL1KMT2ASMN1; SMN2
SCHEMBL3162126 0.69 SLC6A4 (0.47) OPRM1OPRK1OPRL1HSD11B1HSD11B2
SCHEMBL10021108 0.67 OPRM1 (0.55) OPRM1OPRK1OPRL1KMT2AOPRD1
SCHEMBL3876399 0.67 OPRM1 (0.50) OPRM1OPRK1OPRL1KMT2AOPRD1
SCHEMBL2640740 0.66 OPRM1 (0.63) OPRM1OPRK1OPRL1KMT2AOPRD1
SCHEMBL23017577 0.65 OPRM1 (0.49) OPRM1OPRK1OPRL1ESR1ESR2

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 OPRM1 609/4885OPRK1 231/4885OPRL1 141/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 OPRM1 609/4885OPRK1 231/4885OPRL1 141/4885

“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.