SCHEMBL854696

SCHEMBL854696

CC(=O)N1CCN(CCCCN)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR7 P34969 4/20 0.48
PAOX Q6QHF9 1/20 0.46
KDM1A O60341 2/20 0.46
SIGMAR1 Q99720 3/20 0.43
DRD3 P35462 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL27370871 0.98 HTR7 (0.49) PIK3CDCYP1A2TDP1HTR7PAOX
SCHEMBL27370143 0.98 HTR7 (0.49) PIK3CDCYP1A2TDP1HTR7PAOX
SCHEMBL27370138 0.98 HTR7 (0.49) PIK3CDCYP1A2TDP1HTR7PAOX
SCHEMBL3973971 0.94 PIK3CD (0.50) PIK3CDCYP1A2TDP1HTR7PAOX
SCHEMBL488861 0.86 ALOX15 (0.56) PIK3CDCYP1A2TDP1HTR7KDM1A
SCHEMBL24694352 0.84 CYP1A2 (0.52) PIK3CDCYP1A2TDP1HTR7PAOX
SCHEMBL1098392 0.82 PIK3CD (0.50) PIK3CDCYP1A2TDP1HTR7PAOX
SCHEMBL31416857 0.82 SIGMAR1 (0.44) HTR7PAOXSIGMAR1
SCHEMBL8265175 0.82 CYP1A2 (0.50) PIK3CDCYP1A2TDP1HTR7PAOX
SCHEMBL4914342 0.82 GNAI3 (0.50) PIK3CDCYP1A2TDP1HTR7PAOX

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-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 PIK3CD 4487/4885CYP1A2 540/4885TDP1 4685/4885

“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.