SCHEMBL3973434

SCHEMBL3973434

O=CN1CC(c2ccc(C(F)(F)F)cc2)CC(c2noc(-c3cnccn3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SCD5 Q86SK9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
P2RX7 Q99572 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
S1PR1 P21453 1/20 0.33
TRPA1 O75762 2/20 0.32
USP30 Q70CQ3 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL643016 0.82 F2R (0.51) KMT2ALMNAL3MBTL1SCD5EPHX2
SCHEMBL3968569 0.80 KMT2A (0.38) KMT2ALMNAL3MBTL1KDM4EMEN1
SCHEMBL3968826 0.76 F2R (0.49) KMT2ALMNAL3MBTL1KDM4EMEN1
SCHEMBL3975115 0.74 EPHX2 (0.55) KMT2ALMNAMEN1TSHREPHX2
SCHEMBL3963620 0.72 PPARA (0.49) KMT2ALMNAL3MBTL1KDM4EMEN1
SCHEMBL3970569 0.72 F2R (0.44) L3MBTL1SCD5CNR2EPHX2KCNH2
SCHEMBL3971052 0.72 SMN1; SMN2 (0.47) LMNAKDM4ETSHRCNR2EPHX2
SCHEMBL3970737 0.72 ENPP2 (0.40) LMNADRD2EPHX2KCNH2F2R
Hydrochloric Acid SCHEMBL3970778 0.72 F2R (0.38) KMT2ALMNAL3MBTL1KDM4EMEN1
SCHEMBL2975547 0.69 EPHX2 (0.40) LMNACNR2DRD2EPHX2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 KMT2A 2858/4885LMNA 217/4885L3MBTL1 4330/4885

“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.