SCHEMBL4929438

SCHEMBL4929438

Cc1cccc(C)c1-c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
HRH3 Q9Y5N1 4/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
KIF18A Q8NI77 1/20 0.35
SCD O00767 1/20 0.34

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
SCHEMBL4927858 0.90 TP53 (0.39) CNR2HRH3GAAALOX15NPC1
SCHEMBL4141316 0.86 ABCB1 (0.43) CNR2HRH3NPC1RAB9AKLF5
SCHEMBL4930296 0.85 HRH3 (0.44) CNR2HRH3GAANPC1RAB9A
SCHEMBL4134769 0.83 TP53 (0.46) CNR2HRH3NPC1RAB9ASCD
SCHEMBL4278806 0.82 SCD (0.47) HRH3NPC1RAB9ASCD
SCHEMBL4130690 0.82 CHRNA7 (0.46) HRH3NPC1RAB9A
SCHEMBL4123183 0.82 CNR2 (0.38) CNR2HRH3SCD
SCHEMBL4130923 0.82 LMNA (0.44) HRH3NPC1RAB9ASCD
SCHEMBL4141279 0.81 SCD (0.40) HRH3NPC1RAB9ASCD
SCHEMBL4130350 0.80 HRH3 (0.36) CNR2HRH3NPC1RAB9AKLF5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US 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 1/4885GAA 1882/4885

“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.