SCHEMBL4936183

SCHEMBL4936183

COC[C@@H]1CCCN1C(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRMT5 O14744 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH1 P35367 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
SCHEMBL4125538 1.00 POLB (0.46) POLBHRH3ALDH1A1MBTD1TP53BP1
SCHEMBL4131457 0.86 ADRA1A (0.51) POLBHRH3ALDH1A1MAPK1CNR2
SCHEMBL4936130 0.86 ADRA1A (0.51) POLBHRH3ALDH1A1MAPK1CNR2
SCHEMBL4130761 0.86 L3MBTL3 (0.47) POLBHRH3ALDH1A1MBTD1TP53BP1
SCHEMBL14027070 0.84 HRH3 (0.40) POLBHRH3ALDH1A1MAPK1TLR8
SCHEMBL14027071 0.84 HRH3 (0.40) POLBHRH3ALDH1A1MAPK1TLR8
SCHEMBL3773960 0.82 POLB (0.49) POLBHRH3ALDH1A1MBTD1TP53BP1
SCHEMBL3767835 0.82 POLB (0.49) POLBHRH3ALDH1A1MBTD1TP53BP1
SCHEMBL4130746 0.80 GAA (0.60) HRH3ALDH1A1MBTD1TP53BP1L3MBTL4
SCHEMBL4935030 0.80 HRH3 (0.47) POLBHRH3MBTD1TP53BP1L3MBTL4

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 POLB 3797/4885HRH3 1/4885ALDH1A1 734/4885

“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.