SCHEMBL13617157

SCHEMBL13617157

CC(C)(C)CCCNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
METAP1 P53582 1/20 0.43
GAA P10253 3/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
XPO1 O14980 1/20 0.40
PTGS1 P23219 1/20 0.40
DPP4 P27487 1/20 0.39
HCAR3 P49019 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13233294 0.91 RAB9A (0.51) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL10733599 0.81 RAB9A (0.51) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL1078698 0.81 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL8348152 0.80 RAB9A (0.50) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL11935676 0.79 RAB9A (0.49) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL6638569 0.78 RAB9A (0.51) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL13658049 0.78 RAB9A (0.43) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL5093662 0.78 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL1042193 0.78 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL3601165 0.78 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 RAB9A 4429/4885NPC1 2503/4885PRKAB2 4566/4885

“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.