SCHEMBL20556166

SCHEMBL20556166

O=C(NC1CCNCC1)N(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRM2 P08172 1/20 0.45
EPHX1 P07099 3/20 0.44
POLB P06746 1/20 0.41
CHEK1 O14757 1/20 0.40
HTR4 Q13639 2/20 0.40
KHK P50053 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
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

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
SCHEMBL10071978 0.82 PKM (0.73) PKMCHRM1CHRM3CHRM2EPHX1
Water SCHEMBL27570819 0.81 PKM (0.71) PKMCHRM1CHRM3CHRM2EPHX1
SCHEMBL20556075 0.78 PKM (0.46) PKMCHRM1CHRM3CHRM2EPHX1
SCHEMBL3426971 0.75 PKM (0.43) PKMCHRM1CHRM3CHRM2EPHX1
SCHEMBL20555974 0.73 SLC6A2 (0.44) PKMCHRM1CHRM3CHRM2SSTR1
SCHEMBL4919525 0.73 EPHX1 (0.44) CHRM1CHRM3CHRM2EPHX1POLB
SCHEMBL27589350 0.72 NPC1 (0.50) PKMEPHX1MEN1LMNAKMT2A
SCHEMBL594567 0.72 NPC1 (0.62) EPHX1KHKSMYD3MEN1KMT2A
SCHEMBL18388053 0.72 PKM (0.58) PKMEPHX1MEN1LMNAKMT2A
SCHEMBL11422598 0.72 PKM (0.58) PKMEPHX1MEN1LMNAKMT2A

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 PKM 504/4885CHRM1 3/4885CHRM3 5/4885
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 PKM 828/4885CHRM1 1/4885CHRM3 5/4885
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 PKM 1082/4885CHRM1 2/4885CHRM3 5/4885

“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.