SCHEMBL2808732

SCHEMBL2808732

CC(NC(=O)C1(N)CCOC1)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.37
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
MAPK10 P53779 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 2/20 0.33
AKT1 P31749 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL2808484 0.90 B3GNT2 (0.33) CNR2MAPK10AKT1B3GNT2CACNA1G
Trifluoroacetic Acid SCHEMBL2806920 0.88 CNR2 (0.36) CNR2RAB9ANPC1ALDH1A1HTT
SCHEMBL2808638 0.82 BDKRB1 (0.43) CNR2CNR1
SCHEMBL2808635 0.82 BDKRB1 (0.43) CNR2CNR1
Trifluoroacetic Acid SCHEMBL2806915 0.82 MEN1 (0.35) CNR2RAB9ANPC1ALDH1A1HTT
SCHEMBL2806917 0.81 BDKRB1 (0.47)
SCHEMBL13160642 0.81 MAPK10 (0.40) CNR2MAPK10CNR1
SCHEMBL13129008 0.81 BDKRB1 (0.46) CNR2CYP2C19CNR1
SCHEMBL14856869 0.81 BDKRB1 (0.37) CNR2
SCHEMBL2780155 0.79 CNR2 (0.35) CNR2RAB9ANPC1ALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885RAB9A 347/4885NPC1 926/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885RAB9A 347/4885NPC1 926/4885

“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.