SCHEMBL20129619

SCHEMBL20129619

O=C1CNCCN1Cc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CXCR4 P61073 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2C P18825 1/20 0.37
CCR2 P41597 1/20 0.37
CXCL12 P48061 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4692001 0.85 MEN1 (0.47) ALDH1A1POLBL3MBTL1CXCR4SMN1; SMN2
SCHEMBL24648953 0.83 MGLL (0.43) ALDH1A1POLBL3MBTL1CXCR4SMN1; SMN2
SCHEMBL2899901 0.83 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL25271016 0.83 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1CXCR4SMN1; SMN2
SCHEMBL14863940 0.83 HTR2C (0.43) ALDH1A1POLBL3MBTL1CXCR4SMN1; SMN2
SCHEMBL92331 0.83 L3MBTL1 (0.56) ALDH1A1POLBL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4767938 0.82 ALDH1A1 (0.61) ALDH1A1POLBL3MBTL1MEN1KMT2A
Bromide SCHEMBL28426487 0.81 L3MBTL1 (0.54) ALDH1A1POLBL3MBTL1CXCR4MEN1
Hydrochloric Acid SCHEMBL4768580 0.81 L3MBTL1 (0.54) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL7996202 0.81 ENPP2 (0.51) POLBL3MBTL1CXCR4HRH3KMT2A

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 ALDH1A1 3942/4885POLB 2449/4885L3MBTL1 3865/4885

“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.