SCHEMBL2102977

SCHEMBL2102977

COC(=O)c1cccc(F)c1NCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.44
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
KAT2B Q92831 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
SMARCA2 P51531 1/20 0.38
SYK P43405 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6510127 0.77 KDM4E (0.69) KDM4EGLAALDH1A1POLBTSHR
SCHEMBL2099196 0.76 KMT2A (0.50) KDM4EGLAALDH1A1POLBKMT2A
SCHEMBL28696161 0.75 KDM4E (0.51) RAD52KDM4EGLAALDH1A1POLB
SCHEMBL2102584 0.74 BCL3 (0.56) KDM4EALDH1A1POLBTSHRMAPK1
SCHEMBL2101537 0.74 TAAR1 (0.45) RAD52KAT2BALDH1A1POLBMAPK1
SCHEMBL8903700 0.72 KMT2A (0.42) KDM4EGLAALDH1A1POLBTSHR
SCHEMBL2101027 0.72 KAT2B (0.42) RAD52KDM4EKAT2BALDH1A1HPGD
SCHEMBL30432593 0.72 CA12 (0.53) KDM4EALDH1A1POLBTSHRKMT2A
SCHEMBL621753 0.72 CA12 (0.53) KDM4EALDH1A1POLBTSHRKMT2A
SCHEMBL8825790 0.72 KMT2A (0.44) KDM4EALDH1A1POLBTSHRKMT2A

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 RAD52 1814/4885KDM4E 4442/4885GLA 1163/4885

“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.