SCHEMBL20129616

SCHEMBL20129616

CC1CCN(c2c(F)cccc2C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
AR P10275 1/20 0.42
C5AR1 P21730 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RCE1 Q9Y256 1/20 0.40
GAA P10253 3/20 0.39
NPC1 O15118 2/20 0.39
CASP1 P29466 2/20 0.39
RAB9A P51151 2/20 0.39
CASP7 P55210 2/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL20129624 0.85 KDM4E (0.56) KDM4EALDH1A1SSTR2
SCHEMBL5793581 0.81 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL20150131 0.79 AR (0.45) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL20141837 0.78 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20140934 0.77 ALDH1A1 (0.48) KDM4EALDH1A1C5AR1L3MBTL1DPP4
SCHEMBL30561230 0.76 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10AR
SCHEMBL30561225 0.76 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10AR
SCHEMBL13176022 0.76 MEN1 (0.59) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL29678185 0.75 LMNA (0.47) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL20133633 0.74 KCNA3 (0.49) KDM4EALDH1A1

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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR KDM4E 253/4885ALDH1A1 3942/4885SMN1; SMN2 3158/4885

“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.