SCHEMBL2604353

SCHEMBL2604353

O=Cc1cccc(F)c1N1CC[C@H](F)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
KMT2A Q03164 2/20 0.38
NOTUM Q6P988 2/20 0.35
PIM2 Q9P1W9 1/20 0.34
FFAR4 Q5NUL3 5/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
C5AR1 P21730 2/20 0.32
LMNA P02545 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
SCHEMBL2604352 1.00 ERN1 (0.41) ERN1KMT2ANOTUMPIM2FFAR4
SCHEMBL2100461 1.00 ERN1 (0.41) ERN1KMT2ANOTUMPIM2FFAR4
SCHEMBL30286624 0.89 ERN1 (0.44) ERN1KMT2AMEN1MAPTLMNA
SCHEMBL28994711 0.89 ERN1 (0.44) ERN1KMT2AMEN1MAPTLMNA
SCHEMBL2425197 0.82 PIM1 (0.44) ERN1KMT2APIM2
SCHEMBL2425199 0.82 PIM1 (0.44) ERN1KMT2APIM2
SCHEMBL28231810 0.79 ERN1 (0.47) ERN1KMT2AMEN1NPC1KDM4E
SCHEMBL2099837 0.75 CA1 (0.32) KMT2A
SCHEMBL2099838 0.75 CA1 (0.32) KMT2A
SCHEMBL2558987 0.75 ERN1 (0.43) ERN1PIM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 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-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR ERN1 4175/4885KMT2A 4447/4885NOTUM 2179/4885

“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.