SCHEMBL3736067

SCHEMBL3736067

CNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccc(OC(C)C)c(OC)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CASR P41180 3/20 0.41
PPARA Q07869 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MTTP P55157 1/20 0.40
PPARD Q03181 3/20 0.40
PPARG P37231 1/20 0.39
PDE2A O00408 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CETP P11597 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
SCHEMBL3738489 1.00 HCRTR1 (0.46) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3736073 1.00 HCRTR1 (0.46) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3736071 1.00 HCRTR1 (0.46) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3738484 1.00 HCRTR1 (0.46) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3736064 1.00 HCRTR1 (0.46) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3738481 1.00 HCRTR1 (0.46) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3735063 0.97 HCRTR1 (0.44) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3741558 0.97 HCRTR1 (0.44) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3735065 0.97 HCRTR1 (0.44) HCRTR1HCRTR2NPSR1LMNAMAPT
SCHEMBL3741564 0.97 HCRTR1 (0.44) HCRTR1HCRTR2NPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 HCRTR1 1/4885HCRTR2 2/4885NPSR1 12/4885

“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.