SCHEMBL20133593

SCHEMBL20133593

C=C(NC)c1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
CSNK2A1 P68400 1/20 0.35
POLB P06746 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34

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
SCHEMBL18971250 0.83 TP53 (0.41) MEN1KMT2ASMN1; SMN2TDP1TP53
SCHEMBL21021371 0.79 MEN1 (0.43) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C19
SCHEMBL24894156 0.78 TRPA1 (0.46) MEN1KMT2ASMN1; SMN2TDP1TP53
SCHEMBL24912648 0.77 LMNA (0.48) LMNA
SCHEMBL20830805 0.77 KMT2A (0.45) MEN1KMT2ACYP2D6TSHRSMN1; SMN2
SCHEMBL22414227 0.77
SCHEMBL22624400 0.76 HPGD (0.35) MEN1KMT2ATSHRSMN1; SMN2CYP2C19
SCHEMBL18432541 0.76 MEN1 (0.32) MEN1KMT2ACYP2D6TSHRSMN1; SMN2
SCHEMBL8154014 0.76 MEN1 (0.46) MEN1KMT2ACYP2D6TSHRSMN1; SMN2
SCHEMBL23715364 0.75 MEN1 (0.42) MEN1KMT2ACYP2D6TSHRSMN1; 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 MEN1 3142/4885KMT2A 1716/4885CYP2D6 4060/4885

“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.