SCHEMBL12710331

SCHEMBL12710331

CCc1cccc(CC)c1CN(C(=O)c1c(C)nn(C)c1F)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
OPRM1 P35372 4/20 0.35
PLAT P00750 1/20 0.35
TP53 P04637 1/20 0.34
SLC6A9 P48067 3/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A5 Q9Y345 2/20 0.33
HDAC3 O15379 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
SCHEMBL12710330 0.95 MEN1 (0.46) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL439358 0.84 GPBAR1 (0.41) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL1547672 0.84 GPBAR1 (0.43) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL12710361 0.83 GPBAR1 (0.40) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL12710329 0.83 GPBAR1 (0.40) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL12710332 0.82 SLC6A2 (0.45) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL16335828 0.82 GPBAR1 (0.40) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL440745 0.82 GPBAR1 (0.47) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL16335775 0.81 TSHR (0.40) MEN1KMT2AGPBAR1RAB9ATSHR
SCHEMBL16335564 0.81 TSHR (0.39) MEN1KMT2AGPBAR1RAB9ATSHR

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-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
US-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides BAYER CROPSCIENCE AG (DE) 2011-04-07 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-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides NAT1, NACA, AADAC MEN1 3749/4885KMT2A 1258/4885GPBAR1 4255/4885

“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.