SCHEMBL14009727

SCHEMBL14009727

CC1CNCCC1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.54
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A1 P30531 4/20 0.36
GABRA5 P31644 3/20 0.36
GABRB2 P47870 3/20 0.36
SLC6A11 P48066 3/20 0.36
SLC6A13 Q9NSD5 3/20 0.36
SLC6A12 P48065 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRR1 P24046 1/20 0.36
TSHR P16473 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL13986885 1.00 EPHX1 (0.54) EPHX1MAPTKDM4EKMT2AATM
SCHEMBL21193364 0.85 EPHX1 (0.52) EPHX1MAPTKDM4EKMT2AATM
SCHEMBL13804027 0.83 SLC6A1 (0.36) EPHX1MAPTKDM4EKMT2AATM
SCHEMBL22863934 0.83 SLC1A2 (0.43) MAPTKDM4EKMT2AATMCYP2D6
SCHEMBL4001723 0.83 SLC1A2 (0.43) MAPTKDM4EKMT2AATMCYP2D6
SCHEMBL3027763 0.83 SLC1A2 (0.43) MAPTKDM4EKMT2AATMCYP2D6
SCHEMBL13439403 0.83 SLC1A2 (0.43) MAPTKDM4EKMT2AATMCYP2D6
SCHEMBL2312750 0.83 SLC1A2 (0.43) MAPTKDM4EKMT2AATMCYP2D6
SCHEMBL18307362 0.83 SLC1A2 (0.43) MAPTKDM4EKMT2AATMCYP2D6
SCHEMBL4009207 0.83 SLC1A2 (0.43) MAPTKDM4EKMT2AATMCYP2D6

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 7 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
CN-108558806-B Key intermediate of 5-oxo-tetrahydropyran-3-carboxylic ester and preparation method thereof 南京药石科技股份有限公司 2020-04-17 CN 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
EP-3371164-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. (US) 2018-09-12 EP disclosed
WO-2017079641-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. (US) 2017-05-11 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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 (4 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 EPHX1 1532/4885MAPT 76/4885KDM4E 1325/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR EPHX1 3439/4885MAPT 4330/4885KDM4E 583/4885
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 EPHX1 2016/4885MAPT 89/4885KDM4E 1301/4885
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 EPHX1 3120/4885MAPT 151/4885KDM4E 1738/4885

“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.