SCHEMBL4136995

SCHEMBL4136995

FC(F)(F)Oc1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PAX8 Q06710 2/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
PIM1 P11309 7/20 0.43
CNR2 P34972 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.41
TP53 P04637 2/20 0.40
MCHR1 Q99705 2/20 0.40
SCD O00767 1/20 0.40
DYRK1A Q13627 1/20 0.38
HSD11B1 P28845 1/20 0.38
DPP4 P27487 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
SCHEMBL4130316 0.88 MAPT (0.51) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4131484 0.87 TP53 (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4928039 0.85 CNR2 (0.60) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4125446 0.85 TP53 (0.48) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4137280 0.85 WDR5 (0.41) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4130870 0.84 TP53 (0.46) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4137314 0.82 DYRK3 (0.44) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4134769 0.82 TP53 (0.46) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4140017 0.81 NPC1 (0.43) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL4130690 0.81 CHRNA7 (0.46) NPC1RAB9AMEN1KMT2AMAPT

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
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 NPC1 2854/4885RAB9A 2320/4885PAX8 830/4885

“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.