SCHEMBL22861503

SCHEMBL22861503

CN1CCC(C(=O)c2cccc(NC(=O)C(C)(C)C)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 14/20 0.67
HTR1D P28221 2/20 0.64
CHRM5 P08912 1/20 0.64
DRD5 P21918 1/20 0.64
HTR1E P28566 1/20 0.64
HTR7 P34969 1/20 0.64
OPRK1 P41145 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
KDM4A O75164 1/20 0.43
HPGD P15428 1/20 0.41
HTR1A P08908 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29581460 1.00 HTR1F (0.67) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2537303 0.86 HTR1F (0.71) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2539945 0.84 HTR1F (0.68) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535441 0.84 HTR1F (0.68) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2540244 0.83 HTR1F (0.81) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535443 0.83 HTR1F (0.67) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2537883 0.82 HTR1F (0.72) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30908975 0.82 HTR1F (0.72) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL2535877 0.82 HTR1F (0.79) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535880 0.81 HTR1F (0.78) HTR1FHTR1DCHRM5DRD5HTR1E

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-117330658-A HPLC detection method for related substances of key intermediate of lasmidbody 福建省微生物研究所 2024-01-02 CN disclosed
CN-117330658-A HPLC detection method for related substances of key intermediate of lasmidbody 福建省微生物研究所 2024-01-02 CN disclosed
EP-3994131-B1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA SL (ES) 2023-05-24 EP disclosed
US-20220306601-A1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA, S.L. (ES) 2022-09-29 US disclosed
WO-2021001350-A1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA, S.L. (ES) 2021-01-07 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-20220306601-A1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN PMP22, PLP2, PTMA HTR1F 630/4885HTR1D 24/4885CHRM5 454/4885

“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.