SCHEMBL22914741

SCHEMBL22914741

CN1CC2(CC1=O)CN(c1ccc(CN)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.40
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 2/20 0.35

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
SCHEMBL22914738 0.77 POLB (0.50) CYP11B1CYP11B2TMEM97
SCHEMBL18357633 0.73 TSHR (0.41)
SCHEMBL25966709 0.72 ALDH1A1 (0.48) CYP11B1CYP11B2HTR1A
SCHEMBL18357738 0.72 HRH3 (0.33)
SCHEMBL20345550 0.72 RORC (0.50) ENPP2
SCHEMBL28719456 0.71 CTSC (0.41) HTR1A
SCHEMBL20345578 0.70 LOXL2 (0.36) TMEM97SIGMAR1HTR1A
SCHEMBL18357546 0.69 ABAT (0.35)
SCHEMBL18357596 0.69 LOXL2 (0.35)
SCHEMBL20345540 0.69 DPP4 (0.33)

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 ENPP2 1/4885CYP11B1 3655/4885CYP11B2 3355/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885CYP11B1 3655/4885CYP11B2 3355/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885CYP11B1 3655/4885CYP11B2 3355/4885

“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.