SCHEMBL1672173

SCHEMBL1672173

Fc1ccccc1-c1[c]nco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MBNL1 Q9NR56 1/20 0.34
POLB P06746 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL5544608 0.68 NOTUM (0.40) NOTUMNPC1MEN1RAB9AKMT2A
SCHEMBL1367227 0.65 KDM4E (0.48) NPC1RAB9ASMN1; SMN2PKMMAPK1
SCHEMBL22261800 0.65 NOTUM (0.38) NOTUMNPC1L3MBTL1IDO1KDM4E
SCHEMBL3987594 0.65 NPC1 (0.39) NOTUMNPC1MEN1RAB9AKMT2A
SCHEMBL29547174 0.65 ACHE (0.47) NOTUMNPC1MEN1RAB9AKMT2A
SCHEMBL197834 0.65 ACHE (0.47) NOTUMNPC1MEN1RAB9AKMT2A
Hydrogen Sulfide SCHEMBL10700223 0.63 ACHE (0.45) NOTUMNPC1MEN1RAB9AKMT2A
SCHEMBL5706297 0.63 PTPRC (0.48) NOTUMNPC1MEN1RAB9AKMT2A
SCHEMBL30389980 0.63 PTPRC (0.48) NOTUMNPC1MEN1RAB9AKMT2A
SCHEMBL6205082 0.63 SCN9A (0.47) NOTUMNPC1MEN1RAB9AKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US claimed
EP-2491034-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-12-18 EP claimed
EP-2491034-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-08-29 EP claimed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 US claimed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed
US-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2491034-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-12-18 EP disclosed
EP-2491034-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-08-29 EP disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 US disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 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-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR NOTUM 3882/4885NPC1 815/4885MEN1 1989/4885

“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.