SCHEMBL4122869

SCHEMBL4122869

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.44
RAB9A P51151 8/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 4/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
SCD O00767 5/20 0.42
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 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
SCHEMBL4140021 0.89 TP53 (0.51) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL4130672 0.88 HRH3 (0.47) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL4127896 0.85 HRH3 (0.46) HRH3
SCHEMBL4136720 0.84 HRH3 (0.47) HRH3
SCHEMBL4436633 0.83 POLB (0.46) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL4278806 0.83 SCD (0.47) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL4134376 0.83 HPGD (0.45) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL4130565 0.82 HRH3 (0.52) RAB9AHRH3
SCHEMBL4146944 0.82 NPC1 (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4288681 0.81 SCD (0.50) NPC1RAB9AMEN1KMT2AHRH3

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 NPC1 2854/4885RAB9A 2320/4885MEN1 1522/4885

“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.