SCHEMBL263904

SCHEMBL263904

CC(C)(C)[Si](C)(C)OCc1cc(NCCc2ccc(C(F)(F)F)cn2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
DAO P14920 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
PDE2A O00408 1/20 0.33
PPARD Q03181 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACKR3 P25106 1/20 0.33
AURKB Q96GD4 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 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
SCHEMBL263372 0.83 P2RX7 (0.41) P2RX7DAOCNR1CNR2PDE2A
SCHEMBL265917 0.78 KMT2A (0.39) DAOPDE2AALDH1A1LMNAKDM4E
SCHEMBL17781704 0.76 MBOAT4 (0.41) DAOPDE2APPARDGAARXRA
SCHEMBL265445 0.74 KMT2A (0.43) P2RX7LMNAGAAKDM4EPOLB
SCHEMBL263905 0.74 DAO (0.36) P2RX7DAOCNR1CNR2PDE2A
SCHEMBL265220 0.72 EPHX2 (0.44) DAOLMNAAURKBPOLBSMN1; SMN2
SCHEMBL264418 0.72 HRH3 (0.48) DAOPDE2APPARDALDH1A1AURKB
SCHEMBL265688 0.72 HDAC1 (0.50) DAOCNR1CNR2AURKBFFAR1
SCHEMBL264416 0.70 DAO (0.41) DAOCNR1CNR2PDE2APPARD
SCHEMBL265027 0.70 DAO (0.41) DAOPDE2APPARDALDH1A1AURKB

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 6 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
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP 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

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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 P2RX7 506/4885DAO 1311/4885CNR1 14/4885

“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.