SCHEMBL8302436

SCHEMBL8302436

CN1CCC(Cc2ccncc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.53
HRH3 Q9Y5N1 3/20 0.50
HRH4 Q9H3N8 1/20 0.50
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
CYP11B2 P19099 1/20 0.45
CCR3 P51677 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 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
SCHEMBL17888494 0.91 CHRM2 (0.48) CYP19A1HRH3HRH4IKBKETBK1
SCHEMBL1000330 0.82 CYP19A1 (0.61) CYP19A1CYP11B2
SCHEMBL15247841 0.81 CYP19A1 (0.49) CYP19A1CYP11B2CCR3CARM1PRMT6
SCHEMBL327856 0.81 CCR3 (0.66) CCR3CARM1PRMT6
SCHEMBL23206055 0.81 HRH3 (0.49) CYP19A1HRH3CARM1PRMT6
SCHEMBL21940839 0.81 HRH3 (0.54) CYP19A1HRH3
SCHEMBL16219450 0.81 CYP19A1 (0.45) CYP19A1CCR3
SCHEMBL4402327 0.80 CHRM2 (0.62) HRH3
SCHEMBL8302417 0.79 OPRM1 (0.51) CCR3CARM1PRMT6
SCHEMBL13185171 0.79 HTR2A (0.49) HRH3HRH4CCR3CARM1PRMT6

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 14 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
US-9278987-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2016-03-08 US disclosed
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2014-11-06 US disclosed
WO-2013074834-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2013-05-23 WO disclosed
EP-2316830-A2 N-sulphonylated amino acid derivatives and their use as matriptase inhibitors The Medicines Company (Leipzig) GmbH (DE) 2011-05-04 EP disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US disclosed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 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 (4 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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT CYP19A1 4313/4885HRH3 620/4885HRH4 529/4885
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD CYP19A1 1562/4885HRH3 2066/4885HRH4 1673/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD CYP19A1 1562/4885HRH3 2066/4885HRH4 1673/4885
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF RTCB, NSUN3, NSUN2 CYP19A1 4421/4885HRH3 4821/4885HRH4 4651/4885

“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.