SCHEMBL4131615

SCHEMBL4131615

COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.57
CRBN Q96SW2 4/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
DDB1 Q16531 2/20 0.44
ADRA1A P35348 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGAT1 O75907 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
SCHEMBL4928014 0.89 HRH3 (0.46) HRH3CRBNNPC1RAB9AADRA1A
SCHEMBL4136446 0.89 HRH3 (0.54) HRH3KMT2AADRA1ACYP3A4HSD17B10
SCHEMBL4127896 0.88 HRH3 (0.46) HRH3ADRA1ACYP3A4DGAT1
SCHEMBL4125489 0.85 HRH3 (0.44) HRH3NPC1RAB9AADRA1ACYP3A4
SCHEMBL4130672 0.85 HRH3 (0.47) HRH3CRBNNPC1RAB9AKMT2A
SCHEMBL4131640 0.82 ADRA1A (0.46) HRH3ADRA1A
SCHEMBL4936546 0.82 HRH3 (0.64) HRH3KMT2AADRA1AHSD17B10
SCHEMBL4137012 0.81 HRH3 (0.55) HRH3CRBNRAB9AADRA1A
SCHEMBL4136720 0.81 HRH3 (0.47) HRH3ADRA1A
SCHEMBL4130565 0.81 HRH3 (0.52) HRH3RAB9AADRA1A

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 1/4885CRBN 1817/4885NPC1 2854/4885

“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.