SCHEMBL4127946

SCHEMBL4127946

COc1ccccc1-c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.58
TP53 P04637 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
ABCB1 P08183 1/20 0.43

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
SCHEMBL4938912 0.89 CNR2 (0.46) CNR2TP53HPGDMEN1MAPT
SCHEMBL4930296 0.88 HRH3 (0.44) CNR2TP53HPGDMEN1MAPT
SCHEMBL4140016 0.88 CNR2 (0.44) CNR2TP53HPGDMEN1MAPT
SCHEMBL4928101 0.88 TLR9 (0.48) CNR2TP53HPGDMEN1MAPT
SCHEMBL4563491 0.88 CNR2 (0.43) CNR2TP53HPGDMEN1MAPT
SCHEMBL4123066 0.87 HRH3 (0.44) CNR2TP53HPGDMEN1MAPT
SCHEMBL4927925 0.87 CNR2 (0.43) CNR2TP53HPGDMEN1MAPT
SCHEMBL4935931 0.86 TP53 (0.43) CNR2TP53HPGDMEN1MAPT
SCHEMBL4134569 0.84 CNR2 (0.41) CNR2TP53HPGDMEN1MAPT
SCHEMBL4134888 0.84 FFAR4 (0.41) CNR2TP53HPGDMEN1MAPT

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 CNR2 75/4885TP53 3939/4885HPGD 496/4885

“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.