SCHEMBL4284865

SCHEMBL4284865

CC(C)c1ccccc1-c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
HRH3 Q9Y5N1 4/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KLF5 Q13887 1/20 0.34
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL4143408 0.84 IL4I1 (0.45) CNR2HRH3
SCHEMBL4294013 0.84 CNR2 (0.56) CNR2HRH3
SCHEMBL4127946 0.83 CNR2 (0.58) CNR2HRH3NPC1RAB9A
SCHEMBL4938912 0.82 CNR2 (0.46) CNR2HRH3NPC1RAB9A
SCHEMBL4935909 0.81 CNR2 (0.41) CNR2HRH3
SCHEMBL4288868 0.81 CNR2 (0.58) CNR2NPC1RAB9A
SCHEMBL4130690 0.81 CHRNA7 (0.46) HRH3NPC1RAB9ACHRNA7HTR3A
SCHEMBL4934309 0.81 KDM2B (0.40) CNR2HRH3NPC1RAB9A
SCHEMBL4130940 0.80 CNR2 (0.45) CNR2HRH3
SCHEMBL4563491 0.79 CNR2 (0.43) CNR2HRH3NPC1RAB9A

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 75/4885HRH3 1/4885NPC1 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.