SCHEMBL4128181

SCHEMBL4128181

CN(C(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.47
EGLN1 Q9GZT9 2/20 0.44
ADRA1A P35348 1/20 0.44
POLB P06746 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
HPGD P15428 1/20 0.41
MCHR1 Q99705 1/20 0.41
KCNH2 Q12809 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL4134776 0.87 SLC6A9 (0.50) HRH3ADRA1ASLC6A9SLC6A5HSD17B10
SCHEMBL4130864 0.86 HRH3 (0.47) HRH3ADRA1ASLC6A9SLC6A5
SCHEMBL4141288 0.84 HRH3 (0.48) HRH3POLBKCNH2
SCHEMBL4936546 0.84 HRH3 (0.64) HRH3ADRA1AHPGDHSD17B10
SCHEMBL4130587 0.82 HRH3 (0.51) HRH3ADRA1A
SCHEMBL14027177 0.82 HRH3 (0.64) HRH3ADRA1A
SCHEMBL4142655 0.81 HRH3 (0.45) HRH3ADRA1ASLC6A9SLC6A5HSD17B10
SCHEMBL4130774 0.81 ALDH1A1 (0.59) HRH3ADRA1APOLBHPGDHSD17B10
SCHEMBL4130565 0.81 HRH3 (0.52) HRH3ADRA1AHPGDKCNH2
SCHEMBL4140037 0.81 ALDH1A1 (0.59) HRH3ADRA1APOLBHPGDHSD17B10

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 HRH3 1/4885EGLN1 609/4885ADRA1A 420/4885

“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.