SCHEMBL3733476

SCHEMBL3733476

COc1ccc(C(N)CCc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 1/20 0.38
DYRK3 O43781 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
BRS3 P32247 1/20 0.37
KCNH2 Q12809 3/20 0.37
MCHR1 Q99705 2/20 0.37
MAOB P27338 2/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL3730922 0.80 MEN1 (0.60) MEN1KMT2ATAAR1SMN1; SMN2MAOB
SCHEMBL3732187 0.80 MEN1 (0.60) MEN1KMT2ATAAR1SMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL3734803 0.79 MEN1 (0.59) MEN1KMT2ATAAR1SMN1; SMN2MAOB
SCHEMBL3736074 0.78 CYP1A2 (0.44) MEN1KMT2ATAAR1SMN1; SMN2MAOB
SCHEMBL4440597 0.77 SLC6A2 (0.42) KDRTEKMEN1KMT2ATRPM8
SCHEMBL3732696 0.77 PPARA (0.47) MEN1KMT2ATAAR1TMEM97PPARD
SCHEMBL4428090 0.77 KCNH2 (0.41) KDRTEKMEN1KMT2ATRPM8
SCHEMBL12204803 0.76 TRPM8 (0.45) KDRTEKMEN1KMT2ATRPM8
SCHEMBL3729917 0.76 UTS2R (0.47) MEN1KMT2ATAAR1KCNH2MAOB
SCHEMBL3730902 0.75 MEN1 (0.43) MEN1KMT2ATAAR1KCNH2MAOB

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 KDR 3815/4885TEK 1563/4885MEN1 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.