SCHEMBL3968569

SCHEMBL3968569

O=CN1CC(c2ccc(C(F)(F)F)cc2)CC(c2noc(C(F)(F)F)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 0.36
HDAC4 P56524 2/20 0.36
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
ADRA1B P35368 1/20 0.35
P2RY14 Q15391 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
TRPA1 O75762 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
F2R P25116 4/20 0.34
CNR1 P21554 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
TACR1 P25103 1/20 0.34
HTR2C P28335 2/20 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
SCHEMBL3968826 0.84 F2R (0.49) KMT2ALMNAL3MBTL1ADRA2ADRD1
SCHEMBL3973434 0.80 KMT2A (0.38) KMT2ALMNAL3MBTL1TRPA1KDM4E
SCHEMBL3970737 0.80 ENPP2 (0.40) LMNAADRA2ADRD1DRD5ADRA1B
Hydrochloric Acid SCHEMBL3970778 0.79 F2R (0.38) KMT2ALMNAL3MBTL1ADRA2ADRD1
SCHEMBL640854 0.78 F2R (0.57) HDAC4F2RCNR1TMEM97TACR1
SCHEMBL2975547 0.77 EPHX2 (0.40) LMNAHDAC4ADRA2ADRD1DRD5
SCHEMBL28580878 0.77 HTR2C (0.47) ADRA2ADRD1DRD5ADRA1BP2RY14
SCHEMBL3970805 0.76 LMNA (0.48) LMNA
SCHEMBL2929652 0.76 LMNA (0.41) LMNAADRA2ADRD1DRD5ADRA1B
SCHEMBL3971052 0.75 SMN1; SMN2 (0.47) LMNAKDM4ETSHRHDAC6HDAC1

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.