SCHEMBL13033264

SCHEMBL13033264

CCC(=O)NCCc1cnc[nH]1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.71
QPCTL Q9NXS2 1/20 0.71
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.68
LMNA P02545 1/20 0.67
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
POLB P06746 1/20 0.60
HRH4 Q9H3N8 2/20 0.57
HRH3 Q9Y5N1 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54

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
SCHEMBL17481127 0.88 CYP3A4 (0.74) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL13033285 0.88 CYP3A4 (0.74) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17481128 0.87 CYP3A4 (0.82) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL13462781 0.85 QPCT (0.64) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17481134 0.84 CYP3A4 (0.78) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17483163 0.84 CYP3A4 (0.78) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL12999042 0.83 QPCT (1.00) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17481129 0.83 QPCT (0.66) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17483288 0.83 QPCT (0.66) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL16384621 0.83 QPCT (0.66) QPCTQPCTLCYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-20130266617-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INC. (US) 2013-10-10 US disclosed
US-8287910-B2 Polymeric micelles for polynucleotide encapsulation INTEZYNE TECHNOLOGIES, INC. (US) 2012-10-16 US disclosed
US-8287910-B2 Polymeric micelles for polynucleotide encapsulation INTEZYNE TECHNOLOGIES, INC. (US) 2012-10-16 US disclosed
US-20100292432-A1 POLYMERS FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-18 US disclosed
WO-2010127154-A1 POLYMERS FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 WO disclosed
WO-2010127159-A2 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 WO disclosed
US-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 US disclosed
US-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 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 (3 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-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION NCL, POLN, CHMP4B QPCT 2353/4885QPCTL 2159/4885CYP3A4 4858/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 QPCT 229/4885QPCTL 2009/4885CYP3A4 13/4885
US-20130266617-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION NCL, POLN, CHMP4B QPCT 2353/4885QPCTL 2159/4885CYP3A4 4858/4885

“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.