SCHEMBL265445

SCHEMBL265445

COC(=O)c1cc(NCCc2ccc(C(F)(F)F)cn2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ATM Q13315 1/20 0.43
P2RX7 Q99572 1/20 0.43
LMNA P02545 6/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASR P41180 1/20 0.40
CFTR P13569 1/20 0.40
CRHR1 P34998 3/20 0.40
MAPK1 P28482 1/20 0.39
RPS6KA3 P51812 1/20 0.39

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
SCHEMBL265917 0.82 KMT2A (0.39) KMT2ALMNASMN1; SMN2MAPTKDM4E
SCHEMBL263372 0.81 P2RX7 (0.41) P2RX7POLBCRHR1
SCHEMBL3115745 0.75 CFTR (0.62) KMT2ALMNAMEN1SMN1; SMN2MAPT
SCHEMBL265220 0.74 EPHX2 (0.44) KMT2ALMNAMEN1SMN1; SMN2POLB
SCHEMBL264418 0.74 HRH3 (0.48) MAPTHTT
SCHEMBL265167 0.74 TSHR (0.39) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL264996 0.74 TSHR (0.39) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL263904 0.74 P2RX7 (0.37) P2RX7LMNASMN1; SMN2MAPTKDM4E
SCHEMBL263905 0.74 DAO (0.36) KMT2AP2RX7MEN1MAPTPOLB
SCHEMBL265120 0.73 LMNA (0.43) LMNA

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 9 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
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

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 KMT2A 762/4885ATM 4422/4885P2RX7 506/4885

“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.