SCHEMBL2065569

SCHEMBL2065569

CC1(c2cc(F)cc(F)c2)C(=O)N(c2ccccn2)C(=O)N1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
LMNA P02545 1/20 0.34
GRM4 Q14833 2/20 0.34
APP P05067 1/20 0.34
BACE1 P56817 1/20 0.34
CALCRL Q16602 2/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
NTRK1 P04629 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33

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
SCHEMBL2065075 0.81 P2RX7 (0.35) P2RX7SMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL4350278 0.80 SMN1; SMN2 (0.37) P2RX7SMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL10246574 0.74 CALCRL (0.69) CALCRL
SCHEMBL2066205 0.73 PTGDR2 (0.37) KMT2A
SCHEMBL10247680 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL2064729 0.70 PTGDR2 (0.36) KMT2AMEN1KDM4E
SCHEMBL4347621 0.68 HCAR3 (0.38) KMT2AALDH1A1LMNACALCRL
SCHEMBL4342280 0.67 CMA1 (0.44) RXFP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL13273071 0.65 GCGR (0.38) SMN1; SMN2KMT2AMEN1ALDH1A1APP
SCHEMBL2066251 0.63 CALCRL (0.39) SMN1; SMN2KMT2AMEN1CALCRLPOLB

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-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 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 (1 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL P2RX7 158/4885SMN1; SMN2 3944/4885RXFP1 241/4885

“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.