SCHEMBL3603262

SCHEMBL3603262

O=C(O)Nc1c(F)cccc1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
POLB P06746 2/20 0.67
DRD4 P21917 3/20 0.64
SIGMAR1 Q99720 5/20 0.64
KMT2A Q03164 3/20 0.62
SLC6A12 P48065 4/20 0.60
TMEM97 Q5BJF2 1/20 0.60
MCHR1 Q99705 1/20 0.60
MEN1 O00255 1/20 0.58
CCR3 P51677 1/20 0.58
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL16828026 0.87 KMT2A (0.79) L3MBTL1POLBDRD4SIGMAR1KMT2A
SCHEMBL3601820 0.86 L3MBTL1 (0.60) L3MBTL1POLBDRD4SIGMAR1KMT2A
SCHEMBL3598112 0.84 L3MBTL1 (0.73) L3MBTL1POLBDRD4SIGMAR1KMT2A
SCHEMBL21900251 0.83 POLB (0.74) L3MBTL1POLBDRD4SIGMAR1KMT2A
SCHEMBL2972373 0.80 SIGMAR1 (0.62) L3MBTL1POLBSIGMAR1KMT2AMEN1
SCHEMBL22820100 0.79 SIGMAR1 (0.67) L3MBTL1POLBDRD4SIGMAR1KMT2A
SCHEMBL3163809 0.78 DRD4 (1.00) POLBDRD4
SCHEMBL7217989 0.78 SIGMAR1 (1.00) L3MBTL1POLBDRD4SIGMAR1KMT2A
SCHEMBL6956820 0.78 SIGMAR1 (0.73) L3MBTL1POLBDRD4SIGMAR1KMT2A
SCHEMBL3959130 0.78 SIGMAR1 (0.73) L3MBTL1POLBDRD4SIGMAR1KMT2A

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 14 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
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP 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
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO 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 L3MBTL1 1646/4885POLB 3553/4885DRD4 2140/4885
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES CALCRL, CALCR, CALCA L3MBTL1 4858/4885POLB 2638/4885DRD4 4013/4885
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 L3MBTL1 4122/4885POLB 2515/4885DRD4 3748/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA L3MBTL1 4827/4885POLB 2548/4885DRD4 4138/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL L3MBTL1 4765/4885POLB 2741/4885DRD4 3982/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR L3MBTL1 4593/4885POLB 2692/4885DRD4 4512/4885

“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.