SCHEMBL264967

SCHEMBL264967

COc1ccc(NCCc2ccc(C(F)(F)F)nc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
POLB P06746 2/20 0.43
ATM Q13315 2/20 0.43
HTT P42858 1/20 0.43
CSF1R P07333 1/20 0.42
APP P05067 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL263388 0.90 MAPT (0.43) MAPTTP53TSHRCYP1A2CYP3A4
SCHEMBL265830 0.81 HRH3 (0.48) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1581467 0.80 MEN1 (0.51) MAPTTP53TSHRCYP1A2CYP2C9
SCHEMBL1581342 0.79 ATM (0.67) MAPTTSHRLMNASMN1; SMN2MEN1
SCHEMBL265097 0.79 MAPT (0.50) MAPTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2959611 0.78 KMT2A (0.64) MAPTTP53TSHRLMNASMN1; SMN2
SCHEMBL264961 0.76 DAO (0.41) MAPTTP53SMN1; SMN2POLBHTT
SCHEMBL3131368 0.75 L3MBTL1 (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3694328 0.75 CA1 (0.53) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL272264 0.75 DAO (0.42) MAPTLMNASMN1; SMN2MEN1KMT2A

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-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
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN 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 MAPT 2689/4885TP53 4852/4885TSHR 258/4885

“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.