SCHEMBL4131240

SCHEMBL4131240

c1ccc2cc(-c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nn3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
SCD O00767 8/20 0.39
CSNK1D P48730 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
DKK1 O94907 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
SCHEMBL4130815 0.88 HRH3 (0.52) HRH3SCDKCNH2NPC1MAPT
SCHEMBL4130690 0.86 CHRNA7 (0.46) HRH3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4131439 0.84 HRH3 (0.44) HRH3SCDNPC1MAPTRAB9A
SCHEMBL4130923 0.83 LMNA (0.44) HRH3SCDNPC1MAPTRAB9A
SCHEMBL4935984 0.83 CNR2 (0.38) HRH3SCDMAPTKDM2B
SCHEMBL4137768 0.83 SCD (0.41) SCDNPC1MAPTRAB9A
SCHEMBL4134769 0.83 TP53 (0.46) HRH3SCDNPC1MAPTRAB9A
SCHEMBL4137314 0.83 DYRK3 (0.44) HRH3SCDNPC1MAPTRAB9A
SCHEMBL4130870 0.83 TP53 (0.46) HRH3SCDNPC1MAPTRAB9A
SCHEMBL4279454 0.83 CHRNA7 (0.51) HRH3CSNK1DKCNH2

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 HRH3 1/4885SCD 4210/4885CSNK1D 3306/4885

“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.