SCHEMBL22914818

SCHEMBL22914818

CC(=O)N1CCC2(CC1)CN(c1ccc(C#N)cc1)C2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.68
▸ CYP2C19 P33261 5/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ CYP2D6 P10635 3/20 0.67
▸ CYP2C9 P11712 5/20 0.64
▸ CYP1A2 P05177 6/20 0.61
▸ TSHR P16473 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ CYP3A4 P08684 7/20 0.54
▸ HIF1A Q16665 4/20 0.54
▸ USP2 O75604 7/20 0.54
▸ HSD17B10 Q99714 6/20 0.54
▸ HPGD P15428 4/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALOX12 P18054 1/20 0.52

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
SCHEMBL22914762 0.93 CYP2D6 (0.58) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL22914839 0.88 CYP3A4 (0.55) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL22914750 0.87 CYP2D6 (0.50) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL22914827 0.82 EGLN2 (0.52) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL6755665 0.82 CASP6 (0.63) ALDH1A1CYP2C19CYP2D6CYP2C9CYP1A2
SCHEMBL22914764 0.81 CYP2C9 (0.57) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL22914849 0.81 ALDH1A1 (0.60) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL18357677 0.79 EGLN2 (0.54) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL22922220 0.78 KCNH2 (0.60) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9
SCHEMBL22914793 0.78 ALDH1A1 (0.68) ALDH1A1CYP2C19MAPK1CYP2D6CYP2C9

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 4 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

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 ALDH1A1 4630/4885CYP2C19 4349/4885MAPK1 3592/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ALDH1A1 4630/4885CYP2C19 4349/4885MAPK1 3592/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ALDH1A1 4630/4885CYP2C19 4349/4885MAPK1 3592/4885

“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.

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