SCHEMBL4130672

SCHEMBL4130672

COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
SCD O00767 3/20 0.41
MCHR1 Q99705 1/20 0.39
CRBN Q96SW2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4436633 0.89 POLB (0.46) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4140021 0.89 TP53 (0.51) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4122869 0.88 NPC1 (0.44) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4131615 0.85 HRH3 (0.57) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL4931840 0.84 HRH3 (0.47) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4130813 0.83 HRH3 (0.46) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4278806 0.83 SCD (0.47) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4134376 0.83 HPGD (0.45) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4139985 0.82 LMNA (0.48) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL14027071 0.82 HRH3 (0.40) HRH3NPC1RAB9AMEN1KMT2A

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 HRH3 1/4885NPC1 2854/4885RAB9A 2320/4885

“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.