SCHEMBL22914820

SCHEMBL22914820

N#Cc1ccc(N2CC3(CCN3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
KCNH2 Q12809 1/20 0.40
ELANE P08246 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.37
CYP11B2 P19099 4/20 0.37
PGR P06401 2/20 0.37
TSHR P16473 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL24319859 0.78 ADRB1 (0.50) KDM4ETP53POLBOPRM1OPRL1
SCHEMBL22919201 0.77 TSHR (0.64) KDM4ETP53POLBCHRNA10CHRNA9
SCHEMBL18357436 0.75 TP53 (0.47) KDM4ETP53POLBCHRNA10CHRNA9
SCHEMBL18357559 0.75 TSHR (0.51) KDM4ETP53KCNH2TSHR
SCHEMBL18357659 0.74 POLB (0.49) KDM4ETP53POLBCHRNA10CHRNA9
SCHEMBL2384959 0.72 KDM4E (0.80) KDM4ETP53POLBCHRNA10CHRNA9
SCHEMBL22914763 0.71 KDM4E (0.47) KDM4ETP53POLBCHRNA10CHRNA9
SCHEMBL22914774 0.70 KCNH2 (0.54) KDM4ETP53CHRNA10CHRNA9KCNH2
SCHEMBL21393004 0.70 CYP2D6 (0.55) KDM4ETP53KCNH2TSHR
SCHEMBL231077 0.69 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9

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 2 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

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 KDM4E 3866/4885TP53 2573/4885POLB 3603/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 KDM4E 3866/4885TP53 2573/4885POLB 3603/4885

“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.