SCHEMBL2755873

SCHEMBL2755873

COC(=O)NCCc1cnc[nH]1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.71
QPCTL Q9NXS2 1/20 0.71
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 1/20 0.58
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
HRH3 Q9Y5N1 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HRH4 Q9H3N8 1/20 0.57

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
SCHEMBL12999042 0.83 QPCT (1.00) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL16384621 0.83 QPCT (0.66) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17483161 0.83 QPCT (0.75) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL21858082 0.83 QPCT (0.75) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL2755863 0.81 QPCT (0.73) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17481127 0.81 CYP3A4 (0.74) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL13033264 0.81 QPCT (0.71) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17481128 0.80 CYP3A4 (0.82) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL2755855 0.80 QPCT (0.71) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL7567011 0.80 QPCT (0.71) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 QPCT 24/4885QPCTL 522/4885CYP3A4 42/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 QPCT 24/4885QPCTL 522/4885CYP3A4 42/4885

“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.