SCHEMBL20133884

SCHEMBL20133884

C=C(NCCC)c1cc(C)c(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 5/20 0.31
MEN1 O00255 1/20 0.31
MAPK14 Q16539 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20247998 0.76 MAOA (0.46) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL26849481 0.73 HTT (0.38) CYP1A2CYP2C9L3MBTL1TDP1HTT
SCHEMBL25811906 0.71 SMN1; SMN2 (0.34) POLBSMN1; SMN2L3MBTL1THRBRECQL
SCHEMBL24018624 0.71 L3MBTL1 (0.46) POLBSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL20156979 0.70 CACNA1C (0.33)
SCHEMBL19215389 0.68 L3MBTL1 (0.36) CYP1A2CYP2C9POLBSMN1; SMN2L3MBTL1
SCHEMBL19304479 0.68 ALDH1A1 (0.43) POLBSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL22383534 0.67 ALDH1A1 (0.45) POLBSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4495229 0.67 TSHR (0.61) SMN1; SMN2L3MBTL1HTTLMNAKDM4E
SCHEMBL19248818 0.66 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1LMNAKDM4E

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 CYP1A2 4313/4885CYP2C9 4040/4885POLB 2449/4885

“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.