SCHEMBL4131303

SCHEMBL4131303

COC[C@@H]1CCCN1c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.44
PDE10A Q9Y233 2/20 0.39
HRH3 Q9Y5N1 8/20 0.38
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
SYK P43405 1/20 0.37
IDH1 O75874 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35

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
SCHEMBL4936398 1.00 ADRA1A (0.44) ADRA1APDE10AHRH3FPR1FPR2
SCHEMBL4936130 0.80 ADRA1A (0.51) ADRA1AHRH3
SCHEMBL4131457 0.80 ADRA1A (0.51) ADRA1AHRH3
SCHEMBL4130945 0.78 HRH3 (0.43) HRH3
SCHEMBL4134768 0.78 CDK4 (0.45) HRH3SYK
SCHEMBL4931819 0.77 HRH3 (0.49) HRH3
SCHEMBL4147059 0.77 HRH3 (0.45) HRH3
SCHEMBL4938014 0.77 HRH3 (0.42) HRH3
SCHEMBL4934963 0.76 HRH4 (0.41) HRH3
SCHEMBL4131366 0.76 MAPT (0.43) 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 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 ADRA1A 420/4885PDE10A 2408/4885HRH3 1/4885

“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.