SCHEMBL4130692

SCHEMBL4130692

O=C(NC1CCC1)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.53
HRH3 Q9Y5N1 6/20 0.52
USP30 Q70CQ3 5/20 0.47
EGLN1 Q9GZT9 1/20 0.47
KMT2A Q03164 1/20 0.46
ADRA1A P35348 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL4136268 0.99 HPGDS (0.53) HPGDSHRH3USP30EGLN1KMT2A
SCHEMBL4143603 0.98 HPGDS (0.53) HPGDSHRH3USP30EGLN1KMT2A
SCHEMBL4125572 0.98 HPGDS (0.53) HPGDSHRH3USP30EGLN1KMT2A
SCHEMBL4130565 0.88 HRH3 (0.52) HRH3ADRA1AHDAC1
SCHEMBL4137012 0.86 HRH3 (0.55) HRH3ADRA1AHDAC1
SCHEMBL4130249 0.85 ALDH1A1 (0.50) HPGDSHRH3ADRA1AHDAC1
SCHEMBL4130587 0.85 HRH3 (0.51) HRH3ADRA1A
SCHEMBL4139822 0.85 HRH3 (0.48) HPGDSHRH3ADRA1AHDAC1
SCHEMBL4137203 0.84 SMN1; SMN2 (0.52) HPGDSHRH3EGLN1ADRA1AHDAC1
SCHEMBL4936546 0.84 HRH3 (0.64) HRH3KMT2AADRA1A

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 HPGDS 397/4885HRH3 1/4885USP30 2570/4885

“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.