SCHEMBL409305

SCHEMBL409305

COc1cc(C(=O)NC2CCNCC2)cc(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR4 Q13639 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGDS O60760 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PKM P14618 1/20 0.47
SMYD3 Q9H7B4 5/20 0.46
ALDH1A1 P00352 1/20 0.46
PTK2 Q05397 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL1784977 0.93 MAPK1 (0.59) MAPK1OPRK1HTR4MEN1KMT2A
Hydrochloric Acid SCHEMBL1787811 0.92 MAPK1 (0.57) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL463415 0.85 MAPK1 (0.74) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL409818 0.79 MEN1 (0.45) MAPK1OPRK1MEN1KMT2ARXFP1
SCHEMBL10144490 0.79 HTR4 (0.61) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL18271231 0.79 PTPN7 (0.56) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL4415420 0.78 MAPK1 (0.55) MAPK1OPRK1HTR4HPGDSSMYD3
SCHEMBL2957750 0.78 SMYD3 (0.50) HTR4MEN1KMT2AHPGDSSMYD3
SCHEMBL409941 0.77 EPHX1 (0.52) MEN1KMT2AALDH1A1
SCHEMBL13880649 0.76 MAPK1 (0.58) MAPK1OPRK1HTR4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732259-B2 Peptide oligonucleotide conjugates SAREPTA THERAPEUTICS, INC. (US) 2023-08-22 US disclosed
US-20180223278-A1 Functionally-Modified Oligonucleotides And Subunits Thereof JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-08-09 US disclosed
US-9862946-B2 Peptide oligonucleotide conjugates SAREPTA THERAPEUTICS, INC. (US) 2018-01-09 US disclosed
US-9790499-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-20170198287-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-13 US disclosed
US-20160376587-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-12-29 US disclosed
US-9469664-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2016-10-18 US disclosed
US-20160237426-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-08-18 US disclosed
US-9278987-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2016-03-08 US disclosed
US-9161948-B2 Peptide oligonucleotide conjugates SAREPTA THERAPEUTICS, INC. (US) 2015-10-20 US disclosed
US-20150073140-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS SAREPTA THERAPEUTICS, INC. (US) 2015-03-12 US disclosed
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2014-11-06 US disclosed
US-8779128-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2014-07-15 US disclosed
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES AVI BIOPHARMA, INC. (US) 2012-11-15 US disclosed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 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 (7 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-20180223278-A1 Functionally-Modified Oligonucleotides And Subunits Thereof RTCB, NSUN3, NSUN2 MAPK1 4567/4885OPRK1 3478/4885HTR4 4580/4885
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB MAPK1 4345/4885OPRK1 2420/4885HTR4 4373/4885
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF RTCB, NSUN3, NSUN2 MAPK1 4567/4885OPRK1 3478/4885HTR4 4580/4885
US-20150073140-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB MAPK1 4345/4885OPRK1 2420/4885HTR4 4373/4885
US-20160237426-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SNRPE, SMN1; SMN2, UPF1 MAPK1 4525/4885OPRK1 3165/4885HTR4 4727/4885
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SNRPE, SMN1; SMN2, UPF1 MAPK1 4525/4885OPRK1 3165/4885HTR4 4727/4885
US-11732259-B2 Peptide oligonucleotide conjugates SNRPE, SMN1; SMN2, UPF1 MAPK1 4525/4885OPRK1 3165/4885HTR4 4727/4885

“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.