SCHEMBL20133786

SCHEMBL20133786

CCCCCC(CC)N(CCC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
CRHR1 P34998 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CSNK1E P49674 1/20 0.36
KCNH2 Q12809 2/20 0.35
CNR2 P34972 1/20 0.35
TACR1 P25103 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8436010 0.88 TDP1 (0.38) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL20150135 0.86 TP53 (0.39) SIGMAR1GAAMAPTALOX12CRHBP
SCHEMBL8438389 0.81 NPC1 (0.39) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL7647570 0.80 NPC1 (0.38) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL4617535 0.80 NPC1 (0.38) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL28077204 0.79 CSNK1E (0.41) NPC1JAK2RAB9APAX8SIGMAR1
SCHEMBL9326865 0.78 NPC1 (0.47) NPC1JAK2RAB9APAX8TACR1
SCHEMBL21049529 0.77 CRHR1 (0.35) SIGMAR1CRHR1
SCHEMBL8438797 0.77 TAAR1 (0.35) TP53
SCHEMBL9356889 0.76 SIGMAR1 (0.37) NPC1JAK2RAB9APAX8SIGMAR1

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 NPC1 1719/4885JAK2 195/4885RAB9A 1503/4885

“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.