SCHEMBL14980280

SCHEMBL14980280

CN1CCN(Cc2ccncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MC4R P32245 1/20 0.44
HRH1 P35367 2/20 0.43
HRH4 Q9H3N8 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CHKA P35790 3/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
CDK6 Q00534 1/20 0.40
LTA4H P09960 1/20 0.40
CXCR4 P61073 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL17289037 0.91 HRH1 (0.44) KDM4EHRH1LMNACYP1A2CYP2C19
SCHEMBL18652040 0.83 HRH1 (0.40) KDM4EHRH1LMNACYP1A2CYP2C19
SCHEMBL5962222 0.82 HRH3 (0.45) KDM4EHRH1HRH4CYP1A2CYP2C19
SCHEMBL15215270 0.82 HRH1 (0.40) KDM4EHRH1LMNACYP1A2CYP2C19
SCHEMBL20466387 0.82 HRH3 (0.46) KDM4EHRH1CXCR4TDP1
SCHEMBL20466479 0.80 HRH1 (0.39) KDM4EHRH1LMNACYP1A2CYP2C19
SCHEMBL9933634 0.79 CXCR4 (0.49) HRH1LMNAKMT2ACXCR4TDP1
SCHEMBL5714373 0.78 ALDH1A1 (0.49) KDM4ELMNA
SCHEMBL13955308 0.77 CYP1A2 (0.66) KDM4EMC4RHRH1HRH4LMNA
SCHEMBL1331614 0.77 CYP1A2 (0.66) KDM4EMC4RHRH1HRH4LMNA

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-9790499-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
EP-2632457-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 EP disclosed
US-9278987-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2016-03-08 US disclosed
US-8933102-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-01-13 US disclosed
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2014-11-06 US disclosed
US-20130225599-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Life Technologies Corporation (US) 2013-08-29 US disclosed
WO-2013074834-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2013-05-23 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-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF RTCB, NSUN3, NSUN2 KDM4E 3565/4885MC4R 4311/4885HRH1 4618/4885
US-20130225599-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KDM4E 4471/4885MC4R 198/4885HRH1 161/4885

“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.