SCHEMBL14801040

SCHEMBL14801040

Cn1ncc([N+](=O)[O-])c1N1CCC(NC(=O)O)CC(C)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GAA P10253 1/20 0.34
PIM1 P11309 6/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 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
SCHEMBL14800751 0.91 PIM1 (0.41) OPRK1PIM1CYP3A4
SCHEMBL14801227 0.89 OPRK1 (0.36) OPRK1ALDH1A1CRHBPCRHR2GAA
SCHEMBL14801039 0.87 CKS1B (0.38) OPRK1PIM1MAPT
SCHEMBL14801511 0.87 PIM1 (0.39) OPRK1ALDH1A1GAAPIM1PKM
SCHEMBL14831744 0.86 OPRK1 (0.36) OPRK1ALDH1A1CRHBPCRHR2GAA
SCHEMBL14801574 0.84 PIM1 (0.39) OPRK1ALDH1A1CRHBPCRHR2GAA
SCHEMBL16504785 0.81 OPRK1 (0.43) OPRK1ALDH1A1GAAMAPT
SCHEMBL14800752 0.80 PIM1 (0.36) OPRK1GAAPIM1CYP3A4CYP2C9
SCHEMBL27980115 0.79 GAA (0.35) OPRK1ALDH1A1GAACYP3A4CYP2C9
SCHEMBL27979904 0.79 GAA (0.35) OPRK1ALDH1A1GAACYP3A4CYP2C9

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 OPRK1 757/4885ALDH1A1 1462/4885CRHBP 4092/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 OPRK1 757/4885ALDH1A1 1462/4885CRHBP 4092/4885

“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.