SCHEMBL2186773

SCHEMBL2186773

Cc1c(Br)ccc(C(=O)Cl)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
CYP2D6 P10635 1/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9013992 0.86 TSHR (0.49) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL27338694 0.83 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPT
SCHEMBL16387622 0.81 MEN1 (0.43) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL28249903 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL27853733 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL11695700 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL18350282 0.75 GRIN2D (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL594277 0.75 GPR35 (0.44) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL27935928 0.75 KMT2A (0.39) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL28226522 0.75 ALDH1A1 (0.41) KMT2AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846799-B1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
US-9296750-B2 Spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-03-29 US disclosed
US-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
EP-2846799-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
WO-2013169567-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
US-20110245240-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2011-10-06 US disclosed
EP-2341919-A1 CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-07-13 EP disclosed
WO-2010042356-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-04-15 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-20110245240-A1 CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, QRFPR MEN1 1388/4885KMT2A 3375/4885GRIN2D 721/4885
US-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, TACR1 MEN1 877/4885KMT2A 3672/4885GRIN2D 1370/4885

“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.