SCHEMBL855209

SCHEMBL855209

CC(=O)c1nc(CN)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
AOC3 Q16853 1/20 0.37
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL1614004 0.82 ALDH1A1 (0.39) KMT2AALDH1A1MEN1GABRA5GABRB2
SCHEMBL16603280 0.82 ALDH1A1 (0.39) KMT2AALDH1A1MEN1GABRA5GABRB2
SCHEMBL5034313 0.82 ALDH1A1 (0.39) KMT2AALDH1A1MEN1GABRA5GABRB2
SCHEMBL855213 0.81 SMN1; SMN2 (0.57) KMT2AALDH1A1SMN1; SMN2FPR3FPR2
SCHEMBL28177526 0.81 ALDH1A1 (0.38) KMT2AALDH1A1MEN1GABRA5GABRB2
SCHEMBL1706522 0.79 HSD17B10 (0.58) KMT2AALDH1A1MEN1GABRA5GABRB2
SCHEMBL23026544 0.78 ALDH1A1 (0.37) KMT2AALDH1A1MEN1GABRA5GABRB2
SCHEMBL19502765 0.78 ENPP2 (0.40) KMT2AALDH1A1MEN1GABRA5GABRB2
SCHEMBL7406263 0.78 ALDH1A1 (0.49) KMT2AALDH1A1MEN1HSD17B10SMN1; SMN2
SCHEMBL5037405 0.77 PKM (0.40) KMT2AALDH1A1MEN1HSD17B10SMN1; SMN2

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 KMT2A 3813/4885ALDH1A1 1293/4885MEN1 4630/4885

“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.