SCHEMBL2102584

SCHEMBL2102584

COC(=O)c1cccc(F)c1NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 4/20 0.56
ALDH1A1 P00352 5/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.46
ALOX15 P16050 2/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR1 P21554 1/20 0.45
MEN1 O00255 2/20 0.45
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL2099196 0.88 KMT2A (0.50) BCL3ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL2100012 0.77 ALDH1A1 (0.49) BCL3ALDH1A1POLBKDM4EGAA
SCHEMBL5744332 0.76 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2MAPK1KDM4E
SCHEMBL2100906 0.76 ALDH1A1 (0.48) BCL3ALDH1A1KDM4ECYP2C19GAA
SCHEMBL5741437 0.75 MAPK1 (0.59) ALDH1A1POLBSMN1; SMN2MAPK1KDM4E
SCHEMBL1005576 0.75 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MAPK1KDM4E
SCHEMBL10363079 0.74 ALDH1A1 (0.61) BCL3ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL20509933 0.74 GAA (0.48) ALDH1A1MAPK1KDM4ETSHRCYP2C9
SCHEMBL45567 0.74 CYP2C9 (0.57) BCL3ALDH1A1POLBTSHRCYP2C9
SCHEMBL2102977 0.74 RAD52 (0.44) ALDH1A1POLBMAPK1KDM4ETSHR

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 7 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-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
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 BCL3 4176/4885ALDH1A1 1645/4885POLB 4352/4885

“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.