SCHEMBL22914770

SCHEMBL22914770

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.61
GPR119 Q8TDV5 5/20 0.47
HSD11B1 P28845 1/20 0.47
PARP1 P09874 1/20 0.46
RET P07949 2/20 0.45
HDAC1 Q13547 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 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
SCHEMBL24989011 1.00 AR (0.61) ARGPR119HSD11B1PARP1RET
SCHEMBL22919195 0.91 AR (0.61) ARGPR119HSD11B1RETHDAC1
SCHEMBL1367657 0.86 AR (0.49) ARGPR119HSD11B1PARP1RET
SCHEMBL1367658 0.86 AR (0.49) ARGPR119HSD11B1PARP1RET
SCHEMBL1199627 0.85 GPR119 (0.50) ARGPR119HSD11B1PARP1RET
SCHEMBL1199630 0.85 GPR119 (0.50) ARGPR119HSD11B1PARP1RET
SCHEMBL1199629 0.85 GPR119 (0.50) ARGPR119HSD11B1PARP1RET
SCHEMBL30261871 0.85 GPR119 (0.53) ARGPR119HSD11B1PARP1RET
SCHEMBL23551511 0.85 GPR119 (0.50) ARGPR119HSD11B1PARP1RET
SCHEMBL15441789 0.85 GPR119 (0.53) ARGPR119HSD11B1PARP1RET

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-20210024492-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
US-20210024495-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 4589/4885GPR119 1166/4885HSD11B1 4544/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 AR 4589/4885GPR119 1166/4885HSD11B1 4544/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 AR 4589/4885GPR119 1166/4885HSD11B1 4544/4885

“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.