SCHEMBL2683547

SCHEMBL2683547

O=C(O)[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)[C@@H]2C=C[C@H]1C21CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 8/20 0.71
FPR2 P25090 6/20 0.71
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.47
CNR1 P21554 1/20 0.46
P2RX7 Q99572 2/20 0.46
METAP2 P50579 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL856921 1.00 FPR3 (0.71) FPR3FPR2ALDH1A1SMN1; SMN2TDP1
SCHEMBL2682344 0.88 FPR3 (0.67) FPR3FPR2ALDH1A1CNR1P2RX7
SCHEMBL855441 0.88 FPR3 (0.67) FPR3FPR2ALDH1A1CNR1P2RX7
SCHEMBL2682166 0.84 FPR3 (0.76) FPR3FPR2ALDH1A1SMN1; SMN2TAAR1
SCHEMBL856708 0.84 FPR3 (0.76) FPR3FPR2ALDH1A1SMN1; SMN2TAAR1
SCHEMBL2682717 0.83 FPR3 (1.00) FPR3FPR2
SCHEMBL20013750 0.72 ALDH1A1 (1.00) FPR3FPR2ALDH1A1SMN1; SMN2TDP1
SCHEMBL3529974 0.72 HPGD (0.67) ALDH1A1TDP1HPGDCNR1METAP2
SCHEMBL2683287 0.72 FPR3 (0.74) FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL2684819 0.71 FPR3 (1.00) FPR3FPR2

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 3 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

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 FPR3 3/4885FPR2 2/4885ALDH1A1 1293/4885

“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.