SCHEMBL2847795

SCHEMBL2847795

O=C1C[C@@H]2CC[C@H]1CN2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MT-CO2 P00403 2/20 0.35
ALOX5 P09917 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
BRD4 O60885 3/20 0.34
GAA P10253 2/20 0.34
G6PD P11413 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14247562 0.80 GAA (0.42) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL3236297 0.80 GAA (0.42) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL29544886 0.80 GAA (0.42) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL6622485 0.75 CHRNB2 (0.43) KMT2AMEN1CHRNB2CHRNA4L3MBTL1
Hydrochloric Acid SCHEMBL11676386 0.71 SIGMAR1 (0.44)
SCHEMBL7930173 0.70 HRH3 (0.50) GAA
SCHEMBL22555808 0.68 ALDH1A1 (0.36) ALOX5DDB1CRBNBRD4GAA
SCHEMBL22567593 0.68 ALDH1A1 (0.36) ALOX5DDB1CRBNBRD4GAA
SCHEMBL2370523 0.67 MEN1 (0.44) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL4056279 0.67 POLB (0.33) GAAPOLB

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
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A KMT2A 2899/4885MEN1 549/4885MT-CO2 1457/4885

“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.