SCHEMBL20133731

SCHEMBL20133731

CCN(c1ccccc1C)[C@@H](C)CI

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
TP53 P04637 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ACHE P22303 1/20 0.31
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14930912 0.85 LMNA (0.39) CYP3A4LMNATSHRNPSR1SIGMAR1
SCHEMBL20467009 0.81 CYP3A4 (0.41) CYP3A4LMNATSHRNPSR1ALDH1A1
SCHEMBL11224822 0.79 KDM4E (0.38) CYP3A4LMNATSHRALDH1A1SLC6A4
SCHEMBL30551685 0.79 KDM4E (0.38) CYP3A4LMNATSHRALDH1A1SLC6A4
SCHEMBL11389447 0.78 LMNA (0.42) CYP3A4LMNATSHRNPSR1SIGMAR1
SCHEMBL10766412 0.75 CYP3A4 (0.37) CYP3A4LMNATSHRNPSR1ALDH1A1
SCHEMBL21581184 0.73 CYP3A4 (0.40) CYP3A4LMNATSHRNPSR1SIGMAR1
SCHEMBL11673976 0.72 LMNA (0.36) CYP3A4LMNATSHRALDH1A1SLC6A2
SCHEMBL29216797 0.69 LMNA (0.38) CYP3A4LMNATSHRNPSR1SIGMAR1
SCHEMBL11034128 0.69 LMNA (0.42) CYP3A4LMNATSHRNPSR1ALDH1A1

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 CYP3A4 3827/4885LMNA 3104/4885TSHR 4664/4885

“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.