SCHEMBL4134874

SCHEMBL4134874

O=C1CCc2cc(N3CCC4(CC3)CCN(C3CCC3)CC4)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
DRD2 P14416 1/20 0.39
HTR6 P50406 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
ACHE P22303 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1862715 0.78 HSD17B10 (0.52) HRH3L3MBTL1PDE3BPDE3ACASP1
SCHEMBL1853918 0.78 HSD17B10 (0.52) HRH3L3MBTL1PDE3BPDE3ACASP1
SCHEMBL1725142 0.78 HSD17B10 (0.52) HRH3L3MBTL1PDE3BPDE3ACASP1
SCHEMBL3761249 0.76 ACHE (0.52) DRD3HRH3ACHETMEM97SIGMAR1
SCHEMBL3780479 0.74 ACHE (0.52) DRD3HRH3ACHETMEM97SIGMAR1
SCHEMBL14027014 0.72 TRIM24 (0.56) HRH3L3MBTL3L3MBTL1
SCHEMBL3773766 0.72 ACHE (0.50) DRD3HRH3ACHEL3MBTL3TMEM97
SCHEMBL4125512 0.72 L3MBTL3 (0.50) HRH3L3MBTL3L3MBTL1
SCHEMBL3768130 0.71 SIGMAR1 (0.52) DRD3HRH3ACHETMEM97SIGMAR1
SCHEMBL30966019 0.71 MAOA (0.56) HRH3L3MBTL1PDE3BPDE3AHSD17B10

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 6 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

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 DRD3 840/4885HRH3 1/4885DRD2 763/4885

“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.