SCHEMBL20556104

SCHEMBL20556104

NC(=O)C(CC1CCNCC1)(OC(F)(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ CHRM3 P20309 8/20 0.38
▸ CHRM2 P08172 5/20 0.38
▸ CHRM1 P11229 5/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ HTR2C P28335 2/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL8878800 0.77 CHRM3 (0.59) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL7507157 0.74 MAPT (0.44) LMNACYP2D6KMT2ACHRM3CHRM2
SCHEMBL20556106 0.73 MEN1 (0.46) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL10516709 0.69 CYP2D6 (0.56) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL28323309 0.68 SSTR1 (0.37) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL21637716 0.67 HDAC3 (0.41) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL959566 0.66 KMT2A (0.57) MEN1LMNACYP2D6HRH1SCN1A
Piperazine SCHEMBL10994605 0.66 KMT2A (0.39) MEN1LMNACYP2D6KMT2ACHRM3
SCHEMBL5765286 0.66 GBA1 (0.50) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL18496747 0.65 CHRM3 (0.43) CHRM3CHRM2CHRM1

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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