SCHEMBL22919403

SCHEMBL22919403

CC(=O)N(C)C1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.46
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
PANK3 Q9H999 1/20 0.44
CYP3A4 P08684 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SYK P43405 1/20 0.44
CCR5 P51681 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
PARP1 P09874 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
FFAR2 O15552 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
SCHEMBL27629490 0.89 NPY5R (0.46) NPY5RKDM4ETP53PANK3CYP3A4
SCHEMBL19658493 0.82 MCHR1 (0.49) NPY5RMCHR1KDM4ETP53SYK
SCHEMBL5542444 0.82 GPR119 (0.51) NPY5RCYP3A4
SCHEMBL7225036 0.82 KDM4E (0.53) KDM4ETP53CYP3A4CHRNA10CHRNA9
SCHEMBL1749475 0.82 MCHR1 (0.64) MCHR1JAK2JAK3HRH3
SCHEMBL12547488 0.82 MCHR1 (0.64) MCHR1JAK2JAK3HRH3
SCHEMBL7287775 0.81 GFER (0.54) NPY5RMCHR1KDM4ETP53SYK
SCHEMBL14167600 0.81 NPY5R (0.58) NPY5RMCHR1SYKCCR5HRH3
SCHEMBL19658738 0.81 NPY5R (0.56) NPY5RMCHR1SYK
SCHEMBL19658764 0.80 MEN1 (0.54) CYP3A4CCR5HRH3

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-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US 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 (1 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-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 NPY5R 519/4885MCHR1 2832/4885KDM4E 3866/4885

“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.