SCHEMBL855952

SCHEMBL855952

CC1(c2ccc(CN)s2)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2A6 P11509 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2B6 P20813 4/20 0.36
CYP2C19 P33261 4/20 0.36
LOX P28300 14/20 0.35
LTA4H P09960 1/20 0.34
LOXL2 Q9Y4K0 5/20 0.33
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C8 P10632 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL856231 0.81
SCHEMBL855028 0.81 MEN1 (0.37) CYP2A6
SCHEMBL1705805 0.78
SCHEMBL1706917 0.77 MAPT (0.36) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL1705828 0.75 HPGD (0.41)
SCHEMBL15103630 0.73 KAT2B (0.32)
SCHEMBL20486312 0.72 L3MBTL1 (0.36) CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL1167304 0.71 ALDH1A1 (0.39)
SCHEMBL9281819 0.71
SCHEMBL2327367 0.70

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 CYP2E1 1373/4885CYP3A4 1653/4885CYP2A6 1115/4885

“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.