SCHEMBL264940

SCHEMBL264940

FC(F)(F)c1ccc(CCNc2ccc3ncsc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
NTRK1 P04629 2/20 0.50
NTRK2 Q16620 2/20 0.50
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
AURKA O14965 3/20 0.43
AURKB Q96GD4 1/20 0.43
MCHR1 Q99705 1/20 0.43
IRAK4 Q9NWZ3 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRMT3 O60678 1/20 0.40
CNR1 P21554 1/20 0.38
KDR P35968 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL5438096 0.76 PRMT3 (0.70) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL979232 0.75 NPC1 (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1581297 0.75 FFAR1 (0.57) CCNCCDK8CNR1FFAR1
SCHEMBL5793373 0.75 NPC1 (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3746697 0.74 NPC1 (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL18004102 0.73 NPC1 (0.56) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4432370 0.73 NPC1 (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3644226 0.72 TAAR1 (0.49) MEN1KMT2ACCNCCDK8MCHR1
SCHEMBL23510553 0.71 NPC1 (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28549099 0.71 IRAK4 (0.46) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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 (2 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 NPC1 1723/4885RAB9A 4027/4885MEN1 1019/4885
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A NPC1 2020/4885RAB9A 2270/4885MEN1 776/4885

“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.