SCHEMBL4131457

SCHEMBL4131457

COC[C@H]1CCCN1C(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.51
HRH3 Q9Y5N1 6/20 0.46
PDE4B Q07343 1/20 0.42
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 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
SCHEMBL4936130 1.00 ADRA1A (0.51) ADRA1AHRH3PDE4BCNR2POLB
SCHEMBL4146948 0.87 ADRA1A (0.46) ADRA1AHRH3POLBALDH1A1
SCHEMBL4125538 0.86 POLB (0.46) HRH3PDE4BCNR2POLBALDH1A1
SCHEMBL4936183 0.86 POLB (0.46) HRH3PDE4BCNR2POLBALDH1A1
SCHEMBL14027071 0.85 HRH3 (0.40) ADRA1AHRH3PDE4BCNR2POLB
SCHEMBL14027070 0.85 HRH3 (0.40) ADRA1AHRH3PDE4BCNR2POLB
SCHEMBL4137004 0.85 ADRA1A (0.53) ADRA1AHRH3
SCHEMBL4125834 0.82 HPGD (0.51) ADRA1AHRH3POLBALDH1A1
SCHEMBL4936398 0.80 ADRA1A (0.44) ADRA1AHRH3
SCHEMBL4131303 0.80 ADRA1A (0.44) ADRA1AHRH3

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 ADRA1A 420/4885HRH3 1/4885PDE4B 1567/4885

“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.