SCHEMBL1319657

SCHEMBL1319657

N#Cc1ccc(-c2cc(N3CCC3)nc(N)n2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.62
CYP11B2 P19099 3/20 0.62
HRH4 Q9H3N8 4/20 0.55
HRH3 Q9Y5N1 2/20 0.55
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2C P18825 1/20 0.54
HTR1D P28221 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PDPK1 O15530 2/20 0.50
KDM1A O60341 4/20 0.48

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
SCHEMBL1318326 0.96 CYP11B1 (0.64) CYP11B1CYP11B2HRH4HRH3HTR1A
SCHEMBL1317636 0.96 CYP11B1 (0.64) CYP11B1CYP11B2HRH4HRH3HTR1A
SCHEMBL1317086 0.88 HRH4 (0.53) CYP11B1CYP11B2HRH4HRH3HTR1A
SCHEMBL12122325 0.86 KDM1A (0.51) CYP11B1CYP11B2HRH4HRH3HTR1A
SCHEMBL13354706 0.83 USP2 (0.58) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL1318149 0.83 PDPK1 (0.49) CYP11B1CYP11B2HRH4HRH3USP2
SCHEMBL16966526 0.81 PDPK1 (0.53) CYP11B1CYP11B2PDPK1KDM1A
SCHEMBL3121213 0.81 PDPK1 (0.53) CYP11B1CYP11B2PDPK1KDM1A
SCHEMBL1319497 0.80 CYP11B1 (0.44) CYP11B1CYP11B2HRH4HRH3HTR1A
SCHEMBL13354856 0.80 USP2 (0.64) HRH4HRH3HTR1AADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 CYP11B1 634/4885CYP11B2 837/4885HRH4 677/4885

“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.