SCHEMBL829095

SCHEMBL829095

O=C1CCCC(=O)c2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.52
NSD2 O96028 3/20 0.52
PAX8 Q06710 3/20 0.52
ABL1 P00519 1/20 0.52
PLCG1 P19174 1/20 0.52
CES1 P23141 1/20 0.52
RIN1 Q13671 1/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.52
CYP2A6 P11509 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
S100A4 P26447 5/20 0.47
CDC25B P30305 3/20 0.47
PTPRC P08575 2/20 0.47
CTSL P07711 1/20 0.47

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
Hydrochloric Acid SCHEMBL11105978 0.94 TDP2 (0.50) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL728503 0.80 CYP2A6 (0.48) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29412464 0.80 CYP2A6 (0.48) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL936485 0.80 MAOA (0.48) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL30665385 0.79 TDP2 (0.56) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL2604368 0.79 TDP2 (0.56) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL22854753 0.77 TDP2 (0.48) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL2171651 0.76 CYP2A6 (0.44) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL8327818 0.76 GRM5 (0.44) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL8118609 0.73 MAOA (0.46) TDP2NSD2PAX8ABL1PLCG1

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-20130053570-A1 CGRP Receptor Antagonists BRISTOL MYERS SQUIBB CO (US) 2013-02-28 US disclosed
US-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US disclosed
US-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 US disclosed
US-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 US disclosed
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 US disclosed
WO-2011046997-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO disclosed
WO-2009126530-A2 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 WO disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 US disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 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 (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-20120010402-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TDP2 3874/4885NSD2 3879/4885PAX8 3373/4885
US-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TDP2 3854/4885NSD2 4050/4885PAX8 3167/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TDP2 3874/4885NSD2 3879/4885PAX8 3373/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TDP2 3854/4885NSD2 4050/4885PAX8 3167/4885

“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.