SCHEMBL3734725

SCHEMBL3734725

CNC(=O)C(N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1OC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.47
HCRTR2 O43614 5/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP2 P08253 3/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
MTTP P55157 1/20 0.41
CASR P41180 3/20 0.39
HAT1 O14929 2/20 0.39
EP300 Q09472 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BLM P54132 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
SCHEMBL3729513 1.00 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2AMMP2
SCHEMBL3729514 1.00 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2AMMP2
SCHEMBL3729511 1.00 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2AMMP2
SCHEMBL3729512 1.00 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2AMMP2
SCHEMBL3735967 0.90 HCRTR1 (0.45) HCRTR1HCRTR2MMP2MMP1MMP3
SCHEMBL3735959 0.90 HCRTR1 (0.45) HCRTR1HCRTR2MMP2MMP1MMP3
SCHEMBL3735962 0.90 HCRTR1 (0.45) HCRTR1HCRTR2MMP2MMP1MMP3
SCHEMBL3735965 0.90 HCRTR1 (0.45) HCRTR1HCRTR2MMP2MMP1MMP3
SCHEMBL8174089 0.88 MEN1 (0.41) HCRTR1HCRTR2MEN1KMT2ACASR
SCHEMBL3743713 0.88 MMP1 (0.42) HCRTR1HCRTR2MEN1KMT2AMMP2

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 2/4885MEN1 1772/4885

“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.