SCHEMBL3733057

SCHEMBL3733057

Cc1cc(C(=O)C=Cc2ccccc2F)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.62
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NTSR1 P30989 1/20 0.56
RECQL P46063 2/20 0.56
MCL1 Q07820 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP2D6 P10635 1/20 0.50
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
JAK2 O60674 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 2/20 0.47

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
SCHEMBL12443508 0.80 MAPT (0.69) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL28865532 0.80 MAOB (0.70) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL6779670 0.79 MAOB (0.58) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL8987422 0.79 MAOB (0.69) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL8878372 0.79 MAOB (0.69) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL29716572 0.79 MAOB (0.69) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL11346080 0.78 ABCG2 (0.69) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL29402887 0.78 ABCG2 (0.69) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL11346079 0.78 ABCG2 (0.69) MAOBMAPTLMNAALDH1A1NTSR1
SCHEMBL8240533 0.78 MAPT (0.65) MAOBMAPTLMNAALDH1A1NTSR1

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 MAOB 716/4885MAPT 2958/4885LMNA 3364/4885

“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.