SCHEMBL8932238

SCHEMBL8932238

CC1CCC(c2ccccc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.39
HTR2C P28335 6/20 0.37
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.33
PDPK1 O15530 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL744815 0.89 ALOX15 (0.45) MEN1USP2GAAKMT2AHTR2C
SCHEMBL824155 0.81 ESR2 (0.43) MEN1USP2GAAKMT2AESR2
Aniline SCHEMBL22169152 0.81 TSHR (0.48) HTR2CCYP3A4ALOX15CASP1CASP7
SCHEMBL1068978 0.80 NOS1 (0.41) GAAHTR2CCYP3A4ALOX15CASP1
SCHEMBL1067058 0.80 KDM4E (0.44) GAAHTR2CCYP3A4ALOX15CASP1
SCHEMBL8932260 0.79 OPRL1 (0.35) MEN1USP2GAAKMT2AHTR2C
SCHEMBL8932242 0.79 OPRL1 (0.35) MEN1USP2GAAKMT2AHTR2C
SCHEMBL4848442 0.79 GLA (0.38) MEN1USP2GAAKMT2AHTR2C
SCHEMBL8932243 0.79 OPRL1 (0.35) MEN1USP2GAAKMT2AHTR2C
SCHEMBL8786474 0.78 KDM4E (0.47) GAAHTR2CCYP3A4ALOX15CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
US-5498624-A PLANT FUNGICIDES MONSANTO COMPANY (US) 1996-03-12 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 MEN1 3142/4885USP2 2768/4885GAA 1949/4885

“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.