SCHEMBL3740169

SCHEMBL3740169

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
UTS2R Q9UKP6 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL3740184 1.00 NPSR1 (0.41) NPSR1SMN1; SMN2HCRTR1HCRTR2UTS2R
SCHEMBL3740168 1.00 NPSR1 (0.41) NPSR1SMN1; SMN2HCRTR1HCRTR2UTS2R
SCHEMBL3740180 1.00 NPSR1 (0.41) NPSR1SMN1; SMN2HCRTR1HCRTR2UTS2R
SCHEMBL3738489 0.96 HCRTR1 (0.46) NPSR1SMN1; SMN2HCRTR1HCRTR2MEN1
SCHEMBL3736067 0.96 HCRTR1 (0.46) NPSR1SMN1; SMN2HCRTR1HCRTR2MEN1
SCHEMBL3741558 0.96 HCRTR1 (0.44) NPSR1SMN1; SMN2HCRTR1HCRTR2MEN1
SCHEMBL3735063 0.96 HCRTR1 (0.44) NPSR1SMN1; SMN2HCRTR1HCRTR2MEN1
SCHEMBL3738484 0.96 HCRTR1 (0.46) NPSR1SMN1; SMN2HCRTR1HCRTR2MEN1
SCHEMBL3736064 0.96 HCRTR1 (0.46) NPSR1SMN1; SMN2HCRTR1HCRTR2MEN1
SCHEMBL3735065 0.96 HCRTR1 (0.44) NPSR1SMN1; SMN2HCRTR1HCRTR2MEN1

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 NPSR1 12/4885SMN1; SMN2 1970/4885HCRTR1 1/4885

“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.