SCHEMBL20133760

SCHEMBL20133760

C=C(N)c1ccccc1N(CCC)CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
CRHR1 P34998 3/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH3A1 P30838 2/20 0.32
ALDH1A3 P47895 2/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
HTR1A P08908 1/20 0.32
HCAR3 P49019 1/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL2494360 0.81 TP53 (0.47) TP53CRHR1ALDH1A1MAPTGAA
SCHEMBL6569152 0.78 TSHR (0.57) TP53CRHR1ALDH1A1MAPTGAA
SCHEMBL4086031 0.76 TP53 (0.52) TP53ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL959111 0.76 CTSD (0.47) TP53ALDH1A1MAPTGAATSHR
SCHEMBL7150417 0.76 TP53 (0.41) TP53CRHR1ALDH1A1ALDH3A1ALDH1A3
SCHEMBL7437271 0.75 TP53 (0.46) TP53ALDH1A1MAPTGAATSHR
SCHEMBL19303065 0.73 TP53 (0.38) TP53ALDH1A1MAPTSMN1; SMN2HTR1A
SCHEMBL12757734 0.73 CYP2D6 (0.31)
SCHEMBL28861256 0.72 TP53 (0.36) TP53CRHR1
SCHEMBL30780106 0.72 KMT2A (0.54) TP53ALDH1A1GAATSHRSMN1; SMN2

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 2 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

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 TP53 935/4885CRHR1 4091/4885ALDH1A1 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.