SCHEMBL14801009

SCHEMBL14801009

CC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)CCC1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 1/20 0.52
PDE4B Q07343 1/20 0.51
CYP2C19 P33261 1/20 0.51
GRIN2B Q13224 5/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
STS P08842 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL21335543 0.93 PDE4B (0.55) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL28950424 0.93 PDE4B (0.55) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL4132542 0.93 PDE4B (0.55) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL11916326 0.93 PDE4B (0.55) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL4132567 0.93 PDE4B (0.55) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL23191704 0.93 PDE4B (0.55) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL17426118 0.93 PDE4B (0.55) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL31520766 0.93 PDE4B (0.53) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL17185361 0.93 PDE4B (0.53) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL16096196 0.87 PDE4B (0.57) SMN1; SMN2NPC1RAB9AHTTPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US disclosed
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8614206-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-12-24 US disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 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 (2 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-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 SMN1; SMN2 2578/4885NPC1 2654/4885RAB9A 3867/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 SMN1; SMN2 2578/4885NPC1 2654/4885RAB9A 3867/4885

“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.