SCHEMBL22914830

SCHEMBL22914830

CC(=O)N1CC2CC1CN2c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.45
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RORC P51449 2/20 0.41
HRH3 Q9Y5N1 5/20 0.40
ENPP2 Q13822 1/20 0.39
BRAF P15056 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAP3K12 Q12852 1/20 0.38
DPP4 P27487 2/20 0.37
PREP P48147 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL22919444 0.89 AR (0.42) ARALDH1A1HRH3KCNH2DPP4
SCHEMBL31485194 0.82 AKR1C3 (0.47) AKR1C3RORCHRH3ENPP2BRAF
SCHEMBL22914770 0.82 AR (0.61) AR
SCHEMBL24989011 0.82 AR (0.61) AR
SCHEMBL2070782 0.81 AKR1C3 (0.46) AKR1C3RORCENPP2BRAFMAP3K12
SCHEMBL24827585 0.81 RORC (0.46) AKR1C3RORCENPP2BRAFMAP3K12
SCHEMBL22914856 0.78 ENPP2 (0.45) AKR1C3RORCENPP2BRAFMAP3K12
SCHEMBL31126223 0.77 GRIN2B (0.55) AR
SCHEMBL31485084 0.73 AKR1C3 (0.42) AKR1C3RORCENPP2BRAFMAP3K12
SCHEMBL4879996 0.72 AR (0.49) AR

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 5 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-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 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
WO-2021013830-A1 N-METHYL, N-(6-(METHOXY)PYRIDAZIN-3-YL) AMINE DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATORY AIRWAY OR FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 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 AR 4589/4885AKR1C3 2694/4885ALDH1A1 4630/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 AR 4589/4885AKR1C3 2694/4885ALDH1A1 4630/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 AR 4589/4885AKR1C3 2694/4885ALDH1A1 4630/4885

“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.