SCHEMBL3601822

SCHEMBL3601822

CC(C)(C)OC(=O)N(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SLC6A12 P48065 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
MCHR1 Q99705 1/20 0.49

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
SCHEMBL3603268 0.86 L3MBTL1 (0.63) SIGMAR1L3MBTL1KMT2ASLC6A12TMEM97
SCHEMBL915402 0.78 KMT2A (0.65) SIGMAR1L3MBTL1KMT2AMEN1MCHR1
SCHEMBL3964744 0.75 MAOB (0.52) SIGMAR1KMT2AMEN1
SCHEMBL12533621 0.74 SIGMAR1 (0.63) SIGMAR1L3MBTL1KMT2AMCHR1
SCHEMBL555464 0.74 KMT2A (0.64) SIGMAR1L3MBTL1KMT2AMEN1MCHR1
SCHEMBL19086863 0.74 SIGMAR1 (0.68) SIGMAR1KMT2AMEN1
SCHEMBL16827867 0.74 KMT2A (0.55) SIGMAR1L3MBTL1KMT2AMEN1SLC6A12
SCHEMBL3601820 0.74 L3MBTL1 (0.60) SIGMAR1L3MBTL1KMT2AMEN1SLC6A12
SCHEMBL5789230 0.73 KMT2A (0.59) SIGMAR1L3MBTL1KMT2AMEN1MCHR1
SCHEMBL803672 0.72 SIGMAR1 (0.59) SIGMAR1

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-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-7569578-B2 Heterocyclic anti-migraine agents BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-20050153959-A1 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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 (6 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-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH SIGMAR1 57/4885L3MBTL1 1646/4885KMT2A 2392/4885
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES CALCRL, CALCR, CALCA SIGMAR1 1024/4885L3MBTL1 4858/4885KMT2A 4663/4885
US-20050153959-A1 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache CALCRL, CALCA, BDKRB2 SIGMAR1 624/4885L3MBTL1 4122/4885KMT2A 4339/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA SIGMAR1 990/4885L3MBTL1 4827/4885KMT2A 4653/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL SIGMAR1 874/4885L3MBTL1 4765/4885KMT2A 4602/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR SIGMAR1 997/4885L3MBTL1 4593/4885KMT2A 4716/4885

“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.