SCHEMBL4131439

SCHEMBL4131439

c1ccc(Oc2ccc(-c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nn3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KDM2B Q8NHM5 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
TEK Q02763 1/20 0.38
CHRNA7 P36544 3/20 0.38
HTR3A P46098 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
SCHEMBL4130690 0.90 CHRNA7 (0.46) HRH3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4931840 0.87 HRH3 (0.47) HRH3KDM2BNPC1RAB9AMAPT
SCHEMBL4130813 0.86 HRH3 (0.46) HRH3KDM2BNPC1RAB9AMAPT
SCHEMBL4563491 0.85 CNR2 (0.43) HRH3KDM2BNPC1RAB9AMAPT
SCHEMBL4130316 0.84 MAPT (0.51) HRH3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4125766 0.84 TP53 (0.44) HRH3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4131240 0.84 HRH3 (0.44) HRH3KDM2BNPC1RAB9AMAPT
SCHEMBL4288681 0.83 SCD (0.50) HRH3NPC1RAB9AMAPTMEN1
SCHEMBL4282407 0.83 MAPT (0.47) HRH3KDM2BNPC1RAB9AMAPT
SCHEMBL4278806 0.83 SCD (0.47) HRH3KDM2BNPC1RAB9AMAPT

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 1/4885KDM2B 577/4885NPC1 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.