SCHEMBL13557139

SCHEMBL13557139

CCNCCc1nn(Cc2ccc(OC)cc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
PTGER4 P35408 1/20 0.48
BUB1 O43683 9/20 0.46
SCN8A Q9UQD0 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
P2RX4 Q99571 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
HTR6 P50406 1/20 0.43
SLC16A3 O15427 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL13557138 0.83 CNR2 (0.42) CNR1CNR2PTGER4BUB1SCN8A
SCHEMBL927918 0.81 CNR1 (0.64) CNR1CNR2PTGER4BUB1HDAC3
SCHEMBL1897464 0.80 SCN8A (0.55) CNR1CNR2PTGER4SCN8AHDAC3
SCHEMBL27800056 0.76 CNR2 (0.80) CNR1CNR2PTGER4BUB1P2RX4
SCHEMBL30728962 0.76 SLC16A3 (0.55) CNR1CNR2PTGER4SCN8AHDAC3
SCHEMBL13557134 0.75 HTR6 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL30415447 0.75 CNR2 (0.66) CNR1CNR2PTGER4BUB1P2RX4
SCHEMBL19793130 0.75 CNR2 (0.66) CNR1CNR2PTGER4BUB1P2RX4
SCHEMBL516208 0.75 CNR2 (0.66) CNR1CNR2PTGER4BUB1P2RX4
SCHEMBL28170887 0.75 CNR2 (0.66) CNR1CNR2PTGER4BUB1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 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 (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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CNR1 59/4885CNR2 48/4885PTGER4 320/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CNR1 59/4885CNR2 48/4885PTGER4 320/4885

“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.