SCHEMBL12609802

SCHEMBL12609802

CC(C)(C)OC(=O)N1CCC(CCc2ccc(NC(c3ccc(Cl)cc3)C(F)(F)F)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
NR1D1 P20393 2/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
STS P08842 2/20 0.40
GPR119 Q8TDV5 6/20 0.40
CNR1 P21554 2/20 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
SCHEMBL12609803 1.00 FAAH (0.48) FAAHNR1D1NPC1ALDH1A1MAPT
SCHEMBL1990628 0.81 FAAH (0.52) FAAHNR1D1NPC1MAPTHTT
SCHEMBL1990630 0.81 FAAH (0.52) FAAHNR1D1NPC1MAPTHTT
SCHEMBL20015397 0.80 FAAH (0.66) FAAHNR1D1ALDH1A1HTTSTS
SCHEMBL12614537 0.79 FAAH (0.48) FAAHNR1D1HTTSTSGPR119
SCHEMBL4156081 0.77 MAOB (0.49) FAAHGPR119
SCHEMBL20015305 0.76 NPC1 (0.62) FAAHNPC1ALDH1A1MAPTMAPK1
SCHEMBL1990217 0.75 SMN1; SMN2 (0.46) FAAHNR1D1MAPTRAB9AL3MBTL1
SCHEMBL1990216 0.75 SMN1; SMN2 (0.46) FAAHNR1D1MAPTRAB9AL3MBTL1
SCHEMBL1991147 0.75 FAAH (0.46) FAAHNR1D1NPC1ALDH1A1MAPT

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-2688870-B1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-02-01 EP disclosed
US-8802673-B2 Heterocyclic amine derivatives Hoffmann-La Roche Inc (US) 2014-08-12 US disclosed
US-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-09-27 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-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES TAAR1, TAAR5, MTNR1A FAAH 300/4885NR1D1 116/4885NPC1 808/4885

“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.