SCHEMBL2099196

SCHEMBL2099196

COC(=O)c1cccc(F)c1NCCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.47
BCL3 P20749 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSF1R P07333 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2102584 0.88 BCL3 (0.56) KMT2AKDM4EMEN1GAABCL3
SCHEMBL2102065 0.76 MEN1 (0.49) KMT2AMEN1GAAPKMALDH1A1
SCHEMBL2102977 0.76 RAD52 (0.44) KMT2AKDM4EMEN1GAAALDH1A1
SCHEMBL2101834 0.74 MEN1 (0.45) KMT2AMEN1GAAPKMALDH1A1
SCHEMBL4931426 0.73 HTR7 (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11447825 0.73 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL10748578 0.72 KMT2A (0.66) KMT2AKDM4EMEN1GAAALDH1A1
SCHEMBL13242215 0.71 MEN1 (0.51) KMT2AKDM4EMEN1GAAALDH1A1
SCHEMBL11455014 0.71 POLB (0.65) KMT2AMEN1ALDH1A1POLB
SCHEMBL11465797 0.71 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1L3MBTL1POLB

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 KMT2A 4447/4885KDM4E 4442/4885MEN1 1511/4885

“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.