SCHEMBL3751136

SCHEMBL3751136

COc1cc(NCCc2ccc(C(F)(F)F)cc2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ACP1 P24666 1/20 0.43
AURKA O14965 1/20 0.42
NTRK1 P04629 1/20 0.42
AURKB Q96GD4 1/20 0.42
CNR1 P21554 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
RORC P51449 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1581521 0.89 AURKA (0.47) MAPTACP1AURKANTRK1AURKB
SCHEMBL1581467 0.89 MEN1 (0.51) MAPTPPARDPPARAMEN1ALOX15
SCHEMBL1580995 0.85 CNR1 (0.44) MAPTACP1CNR1PPARDPPARA
SCHEMBL3644226 0.83 TAAR1 (0.49) MAPTCNR1TAAR1RORCMEN1
SCHEMBL1581321 0.83 PDE5A (0.52) MAPTACP1CNR1PPARDPPARA
SCHEMBL3646051 0.82 CNR1 (0.45) MAPTACP1CNR1TAAR1RORC
SCHEMBL265167 0.81 TSHR (0.39) MAPTAURKANTRK1AURKBMEN1
SCHEMBL4434676 0.81 MCHR1 (0.49) MAPTPPARDPPARAMEN1ALOX15
SCHEMBL1581183 0.81 ATM (0.56) MAPTMEN1ALOX15MAPK1KMT2A
SCHEMBL1581519 0.79 MAPT (0.69) MAPTACP1RORCMEN1KMT2A

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
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO 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 (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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A MAPT 659/4885ACP1 4565/4885AURKA 1505/4885

“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.