SCHEMBL22914744

SCHEMBL22914744

CC1(C)CNCCN1c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
ELANE P08246 1/20 0.40
OPRD1 P41143 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PGR P06401 1/20 0.37
USP2 O75604 1/20 0.36
KDM1A O60341 2/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 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
Hydrochloric Acid SCHEMBL4523765 0.98 POLB (0.45) POLBKDM4ETP53ELANEOPRD1
SCHEMBL7647236 0.81 ADRB1 (0.52) POLBKDM4ETP53ELANEHTR2A
SCHEMBL7943366 0.80 MAPT (0.38) POLBKDM4ETP53USP2HTR2A
SCHEMBL7940843 0.80 HTR2B (0.36) HTR2AHTR2CHTR2B
SCHEMBL4487460 0.80 ADRB1 (0.50) ELANEHTR2AHTR2CHTR2B
SCHEMBL746788 0.80 ADRB1 (0.47) TP53CYP1A2CYP3A4USP2HTR2A
Hydrochloric Acid SCHEMBL6374876 0.79 ADRB1 (0.49) ELANEHTR2AHTR2CHTR2B
SCHEMBL15140914 0.79 AR (0.49) CYP11B2ALDH1A1
Hydrochloric Acid SCHEMBL6830556 0.78 ADRB1 (0.46) TP53CYP1A2CYP3A4USP2HTR2A
SCHEMBL6912810 0.78 KDM4E (0.47) KDM4ECYP11B2ALDH1A1

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
CN-114206871-B 1- (6- (methoxy) pyridazin-3-yl) cyclopropane-1-carboxamide derivatives as modulators of Autotaxin (ATX) for the treatment of inflammatory airway diseases 勃林格殷格翰国际有限公司 2024-03-29 CN disclosed
US-20230022770-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-01-26 US disclosed
CN-114206871-A 1- (6- (methoxy) pyridazin-3-yl) cyclopropane-1-carboxamide derivatives as Autotaxin (ATX) modulators for the treatment of inflammatory airway diseases 勃林格殷格翰国际有限公司 2022-03-18 CN 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 (2 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 POLB 3603/4885KDM4E 3866/4885TP53 2573/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 POLB 3603/4885KDM4E 3866/4885TP53 2573/4885

“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.