SCHEMBL20555976

SCHEMBL20555976

O=C(C1CCNCC1)C1CNCCN1c1ncccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.53
▸ TRPV1 Q8NER1 3/20 0.43
▸ HTR2C P28335 5/20 0.41
▸ HTR2B P41595 5/20 0.41
▸ HTR2A P28223 4/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SSTR4 P31391 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ RBP4 P02753 2/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL3409778 0.76 EPHX2 (0.58) EPHX2TRPV1HTR2CHTR2BHTR2A
SCHEMBL2702455 0.75 EPHX2 (0.56) EPHX2TRPV1HTR2CHTR2BHTR2A
SCHEMBL20555977 0.74 EPHX2 (0.44) EPHX2TRPV1HTR2CHTR2BHTR2A
SCHEMBL233710 0.71 EPHX2 (1.00) EPHX2TRPV1HSD11B1GAA
Piperazine SCHEMBL5324447 0.70 EPHX2 (0.97) EPHX2TRPV1HSD11B1GAA
Hydrochloric Acid SCHEMBL10319192 0.70 EPHX2 (0.97) EPHX2TRPV1HSD11B1GAA
SCHEMBL2404056 0.68 HTR2C (0.50) HTR2CHTR2BHTR2A
SCHEMBL1252470 0.67 TRPV1 (0.66) EPHX2TRPV1HSD11B1GAARBP4
SCHEMBL27831828 0.67 EPHX2 (0.45) EPHX2TRPV1HTR2CHTR2BHTR2A
SCHEMBL5356587 0.67 EPHX2 (0.89) EPHX2TRPV1HSD11B1GAA

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 EPHX2 1479/4885TRPV1 1455/4885HTR2C 144/4885
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 EPHX2 2335/4885TRPV1 1316/4885HTR2C 67/4885
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 EPHX2 2935/4885TRPV1 1282/4885HTR2C 52/4885

“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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