SCHEMBL20133697

SCHEMBL20133697

COC(=O)c1cc(NC2CCN(c3cccc(Cl)c3)CC2)c(C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
GAA P10253 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
NPC1 O15118 2/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 1/20 0.43
NPY5R Q15761 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL20141134 0.89 MTNR1A (0.49) ALDH1A1SMN1; SMN2MAPTMAPK1GAA
SCHEMBL20133698 0.89 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL20141600 0.89 MAPT (0.49) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL20133679 0.86 NOTUM (0.47) KDM4ENPY5RNOTUM
SCHEMBL20133702 0.84 MTOR (0.47) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL22188083 0.82 OPRK1 (0.38) KDM4ETSHRALDH1A1SMN1; SMN2CNR1
SCHEMBL20133837 0.81 MTNR1A (0.49) ALDH1A1SMN1; SMN2MAPTMAPK1GAA
SCHEMBL20129687 0.79 MAPT (0.49) TSHRALDH1A1HTTMAPTEHMT2
SCHEMBL20141082 0.78 MTOR (0.45) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL20133691 0.78 MTOR (0.69) TSHRALDH1A1SMN1; SMN2HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR KDM4E 253/4885TSHR 4664/4885ALDH1A1 3942/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR KDM4E 253/4885TSHR 4664/4885ALDH1A1 3942/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR KDM4E 253/4885TSHR 4664/4885ALDH1A1 3942/4885

“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.