SCHEMBL4928014

SCHEMBL4928014

COC(=O)c1ccc(-c2cnc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA1A P35348 1/20 0.39
BDKRB1 P46663 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SSTR3 P32745 1/20 0.38
OPRL1 P41146 1/20 0.38
CRBN Q96SW2 2/20 0.37
MERTK Q12866 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
SCHEMBL4131615 0.89 HRH3 (0.57) HRH3CYP3A4CYP2D6NPC1RAB9A
SCHEMBL4130708 0.88 HRH3 (0.43) HRH3CYP3A4USP2CYP2D6TLR9
SCHEMBL4136337 0.88 HRH3 (0.44) HRH3CYP3A4USP2CYP2D6TLR9
SCHEMBL4937015 0.82 GAA (0.46) HRH3CYP3A4USP2CYP2D6ADRA1A
SCHEMBL14027061 0.80 RET (0.41) DRD2DRD4TLR9TLR8TLR7
SCHEMBL4130672 0.80 HRH3 (0.47) HRH3NPC1RAB9ASMN1; SMN2CRBN
SCHEMBL4135581 0.79 TLR9 (0.38) HRH3TLR9TLR8TLR7ADRA1A
SCHEMBL4123122 0.79 ADRA1A (0.47) HRH3CYP3A4USP2CYP2D6NPC1
SCHEMBL13098944 0.77 HRH3 (0.43) HRH3DRD2DRD4PIK3CAMTOR
SCHEMBL4136446 0.77 HRH3 (0.54) HRH3CYP3A4SMN1; SMN2ADRA1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US 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 1/4885DRD2 763/4885DRD4 1621/4885

“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.