SCHEMBL3247749

SCHEMBL3247749

O=C(O)N[C@@H]1CCCCN(CC2CC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.48
CALCRL Q16602 1/20 0.48
ACE P12821 6/20 0.44
MME P08473 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
FPR2 P25090 2/20 0.41
SRC P12931 3/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
NPY1R P25929 1/20 0.39

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
SCHEMBL5638625 1.00 RAMP1 (0.48) RAMP1CALCRLACEMMETPSAB1
SCHEMBL4229630 0.88 FPR2 (0.46) RAMP1CALCRLACEMMEFPR2
SCHEMBL27706684 0.87 RAMP1 (0.43) RAMP1CALCRLACEMMETPSAB1
SCHEMBL5638958 0.83 ACE (0.44) ACEMMESRCF10MMP1
SCHEMBL21143944 0.83 ACE (0.44) ACEMMESRCF10MMP1
SCHEMBL10941726 0.83 ACE (0.59) ACEMMETPSAB1TPSD1TPSG1
SCHEMBL5641213 0.82 SRC (0.43) ACEMMETPSAB1TPSD1TPSG1
SCHEMBL6224777 0.82 SRC (0.43) ACEMMETPSAB1TPSD1TPSG1
SCHEMBL14170204 0.81 RAMP1 (0.42) RAMP1CALCRLACEMMETPSAB1
SCHEMBL3276179 0.81 F10 (0.57) ACEMMEF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765805-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
EP-1615914-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
EP-1765805-A4 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-08-26 EP disclosed
US-7491713-B2 CGRP receptor antagonists MERCK + CO., INC. (US) 2009-02-17 US disclosed
US-20070287696-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-13 US disclosed
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 US disclosed
EP-1765805-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-03-28 EP disclosed
US-20060194783-A1 Cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-31 US disclosed
WO-2005072308-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-08-11 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-20060194783-A1 Cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 RAMP1 105/4885CALCRL 6/4885ACE 2305/4885
US-20070287696-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR RAMP1 120/4885CALCRL 4/4885ACE 2302/4885

“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.