SCHEMBL4134790

SCHEMBL4134790

N#Cc1cccc(N2CCC3(CC2)CCN(C2CCC2)CC3)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
NOTUM Q6P988 1/20 0.46
HRH3 Q9Y5N1 4/20 0.45
MGLL Q99685 3/20 0.45
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
MCHR1 Q99705 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ALK Q9UM73 1/20 0.40
C1S P09871 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
SCHEMBL4125536 0.80 HRH3 (0.47) HRH3USP2ALDH1A1TP53CYP1A2
SCHEMBL5466163 0.79 DRD3 (0.49) DRD2DRD3NOTUMHRH3MGLL
SCHEMBL4130456 0.78 HRH3 (0.46) HRH3KDM2BMCHR1
SCHEMBL30887009 0.76 DRD2 (0.55) DRD2DRD3NOTUMHRH3MGLL
SCHEMBL29809089 0.75 DRD2 (0.74) DRD2DRD3NOTUMALDH1A1HSD17B10
SCHEMBL3537217 0.75 DRD2 (0.74) DRD2DRD3NOTUMALDH1A1HSD17B10
SCHEMBL15800697 0.75 DRD2 (0.79) DRD2DRD3NOTUMTP53C1S
SCHEMBL5459076 0.75 DRD3 (0.44) DRD2DRD3NOTUMHRH3MGLL
SCHEMBL4936803 0.74 USP2 (0.47) HRH3USP2ALDH1A1TP53CYP1A2
SCHEMBL4468086 0.74 DRD2 (0.72) DRD2DRD3NOTUMALDH1A1HSD17B10

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 DRD2 763/4885DRD3 840/4885NOTUM 2468/4885

“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.