SCHEMBL2848904

SCHEMBL2848904

CNCCCc1nc2c(OC(C)C)cccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL2310462 0.86 HSD17B10 (0.44) POLBALDH1A1SMN1; SMN2
SCHEMBL2843705 0.84 CBFB (0.49) ALDH1A1SMN1; SMN2SLC6A4HRH1DRD2
SCHEMBL2844507 0.81 PDE9A (0.38) POLBSLC6A4HRH1DRD2DRD4
SCHEMBL2842465 0.81 DRD2 (0.43) SLC6A4HRH1DRD2DRD4DRD3
SCHEMBL2843289 0.80 KDM4E (0.37) KDM4ELMNATDP1POLBMEN1
SCHEMBL2846182 0.80 CACNA1H (0.34) POLBSLC6A4HRH1DRD2DRD4
SCHEMBL10767446 0.79 MGAM (0.42) TDP1POLBALDH1A1
SCHEMBL2842462 0.78 PSMB8 (0.43) KDM4ELMNAPOLB
SCHEMBL2845527 0.74 RIPK1 (0.58) KDM4ELMNAPOLB
SCHEMBL2846504 0.72 HTT (0.44) KDM4ELMNAPOLBALDH1A1SMN1; 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
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 MCHR1 2344/4885KDM4E 3186/4885LMNA 427/4885

“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.