SCHEMBL4130316

SCHEMBL4130316

FC(F)(F)Oc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SCD O00767 4/20 0.41
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CNR2 P34972 1/20 0.38
PAX8 Q06710 2/20 0.37
HSP90AA1 P07900 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL4136995 0.88 NPC1 (0.45) MAPTTP53NPC1RAB9AMEN1
SCHEMBL4292748 0.86 SCD (0.50) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4931840 0.86 HRH3 (0.47) MAPTTP53NPC1RAB9AMEN1
SCHEMBL4130813 0.85 HRH3 (0.46) MAPTTP53NPC1RAB9AMEN1
SCHEMBL4288681 0.85 SCD (0.50) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4131439 0.84 HRH3 (0.44) MAPTTP53NPC1RAB9AMEN1
SCHEMBL4125766 0.83 TP53 (0.44) MAPTTP53NPC1RAB9AMEN1
SCHEMBL4278806 0.82 SCD (0.47) MAPTTP53NPC1RAB9AMEN1
SCHEMBL4282407 0.82 MAPT (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4130690 0.82 CHRNA7 (0.46) MAPTTP53NPC1RAB9AMEN1

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 MAPT 1220/4885TP53 3939/4885NPC1 2854/4885

“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.