SCHEMBL2102065

SCHEMBL2102065

OCc1cccc(F)c1NCCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
KCNH2 Q12809 1/20 0.41
ACP1 P24666 1/20 0.41
SMARCA2 P51531 1/20 0.41
CACNA1G O43497 2/20 0.40
ESRRG P62508 1/20 0.40
TOP2A P11388 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
SCHEMBL2100012 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL2101834 0.77 MEN1 (0.45) MEN1KMT2ADRD3ALDH1A1HRH3
SCHEMBL2099196 0.76 KMT2A (0.50) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL4932077 0.74 MEN1 (0.61) MEN1KMT2ADRD3ALDH1A1CYP1A2
SCHEMBL22407643 0.71 ACHE (0.50) DRD3ALDH1A1HRH3GAAL3MBTL1
SCHEMBL2101537 0.71 TAAR1 (0.45) KMT2AALDH1A1POLB
SCHEMBL16269087 0.69 DPP7 (0.61) MEN1KMT2AALDH1A1L3MBTL1SIGMAR1
SCHEMBL2100381 0.69 ALDH1A1 (0.37) MEN1KMT2AALDH1A1HRH3PKM
SCHEMBL2100384 0.69 ALDH1A1 (0.37) MEN1KMT2AALDH1A1HRH3PKM
SCHEMBL8673780 0.69 POLB (0.59) MEN1KMT2ADRD3ALDH1A1HRH3

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 MEN1 1511/4885KMT2A 4447/4885DRD3 1499/4885

“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.