SCHEMBL8434677

SCHEMBL8434677

CN1CCC(N2CCc3ccccc3C2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
SLC18A3 Q16572 1/20 0.54
SMO Q99835 1/20 0.50
CXCR3 P49682 1/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
ADRA1A P35348 3/20 0.46
GRIN2B Q13224 2/20 0.44
MCOLN2 Q8IZK6 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MCOLN1 Q9GZU1 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
SCHEMBL8438497 0.92 MAOA (0.55) MAOAMAOBSLC18A3SMOCXCR3
SCHEMBL28286738 0.89 SLC18A3 (0.61) MAOAMAOBSLC18A3SMOCXCR3
SCHEMBL10263767 0.85 SLC18A3 (0.67) MAOAMAOBSLC18A3SMOCXCR3
SCHEMBL27781945 0.84 SLC18A3 (0.65) MAOAMAOBSLC18A3CXCR3MCOLN2
SCHEMBL8259450 0.83 HRH3 (0.50) MAOAMAOBSLC18A3SMOCXCR3
SCHEMBL8436469 0.82 MAOA (0.51) MAOAMAOBSLC18A3DRD2DRD1
SCHEMBL30823779 0.81 SLC18A3 (0.50) MAOAMAOBSLC18A3SMOCXCR3
SCHEMBL22360347 0.81 SLC18A3 (0.50) MAOAMAOBSLC18A3SMOCXCR3
SCHEMBL2299038 0.81 SLC18A3 (0.53) MAOAMAOBSLC18A3SMOCXCR3
SCHEMBL9115585 0.81 SLC18A3 (0.53) MAOAMAOBSLC18A3SMOCXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP MAOA 830/4885MAOB 1236/4885SLC18A3 2574/4885

“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.