SCHEMBL20556106

SCHEMBL20556106

NC(=O)CC(OC(F)(F)F)(c1ccccc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ SCN1A P35498 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN3A Q9NY46 1/20 0.46
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ CHRM3 P20309 5/20 0.36
▸ CHRM2 P08172 4/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ SLC6A2 P23975 6/20 0.35
▸ SLC6A4 P31645 6/20 0.35
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL20556104 0.73 MEN1 (0.38) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL9616906 0.73 KMT2A (0.46) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL959566 0.70 KMT2A (0.57) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL27626467 0.68 KMT2A (0.54) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL4720825 0.68 MEN1 (0.54) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL20138486 0.68 KMT2A (0.50) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL241668 0.67 HRH1 (0.61) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL21752562 0.66 HRH1 (0.59) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL10361030 0.66 CYP2D6 (0.51) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL1669462 0.66 HRH1 (0.48) MEN1LMNACYP2D6HRH1SCN1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338653-A1 N-[2-(1 -BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1 -CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES NEUROCRINE BIOSCIENCES, INC. 2021-11-04 — — US disclosed
US-11033539-B2 Compounds of formulas (VII), (VIII), (IX), (XI), (XII), (XIII), and (XIV) as muscarinic receptor 4(M4) antagonists for treating neurological diseases NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-20180325887-A1 N-[2-(1-BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES NEUROCRINE BIOSCIENCES, INC. 2018-11-15 — — 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 (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-11033539-B2 Compounds of formulas (VII), (VIII), (IX), (XI), (XII), (XIII), and (XIV) as muscarinic receptor 4(M4) antagonists for treating neurological diseases CHRM2, CHRM4, CHRM1 MEN1 3798/4885LMNA 2263/4885CYP2D6 836/4885
US-20180325887-A1 N-[2-(1-BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES CHRM1, CHRM2, CHRM4 MEN1 3552/4885LMNA 2536/4885CYP2D6 2600/4885
US-20210338653-A1 N-[2-(1 -BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1 -CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES CHRM2, CHRM1, CHRM4 MEN1 4034/4885LMNA 2129/4885CYP2D6 2764/4885

“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.

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