SCHEMBL248276

SCHEMBL248276

CC(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
AOC3 Q16853 1/20 0.47
DPP4 P27487 2/20 0.47
HSD11B1 P28845 2/20 0.46
SLC6A9 P48067 5/20 0.45
SLC6A5 Q9Y345 1/20 0.45
KCNH2 Q12809 2/20 0.44
PREP P48147 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
IDO1 P14902 1/20 0.42
AKR1C3 P42330 1/20 0.41
NPY2R P49146 1/20 0.41
RORC P51449 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL13186815 0.87 HSD11B1 (0.43) LMNAAOC3DPP4HSD11B1SLC6A9
SCHEMBL25369348 0.85 GPR119 (0.55) LMNAAOC3DPP4HSD11B1SLC6A9
SCHEMBL22914751 0.83 LMNA (0.64) LMNASLC6A9SLC6A5KCNH2
SCHEMBL250297 0.82 CCNA2 (0.56) AOC3DPP4HSD11B1CCNA2CDK2
SCHEMBL10259980 0.81 ALDH1A1 (0.48) LMNAIDO1AKR1C3NPY2R
SCHEMBL3532873 0.81 NOTUM (0.48) LMNAAOC3DPP4HSD11B1PREP
SCHEMBL264195 0.80 GFER (0.54) LMNAIDO1AKR1C3NPY2R
SCHEMBL31316983 0.80 GFER (0.54) LMNAIDO1AKR1C3NPY2R
SCHEMBL250177 0.79 NOTUM (0.47) AOC3DPP4HSD11B1SLC6A9PREP
SCHEMBL270539 0.79 NPY2R (0.47) HSD11B1SLC6A9SLC6A5IDO1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022770-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-01-26 US disclosed
US-20210024492-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
WO-2021013832-A1 1-(6-(METHOXY)PYRIDAZIN-3-YL)CYCLOPROPANE-1-CARBOXAMIDE DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 WO disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO 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 (3 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-20210024492-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 LMNA 1587/4885AOC3 2126/4885DPP4 614/4885
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 LMNA 4429/4885AOC3 422/4885DPP4 393/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 LMNA 1587/4885AOC3 2126/4885DPP4 614/4885

“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.