SCHEMBL20555935

SCHEMBL20555935

CC1CN(c2cnc(C(F)(F)F)nc2)CCN1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ CHRM4 P08173 8/20 0.42
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ ADRA2A P08913 4/20 0.40
▸ ADRA2C P18825 4/20 0.40
▸ ADRA2B P18089 3/20 0.40
▸ SLC6A9 P48067 5/20 0.39
▸ CXCR3 P49682 1/20 0.37

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
SCHEMBL24968958 0.76 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL24967970 0.76 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL26088929 0.74 CHRM4 (0.53) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL20555984 0.73 EIF2AK4 (0.39) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL28646033 0.73 EIF2AK4 (0.39) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL23744764 0.73 EIF2AK4 (0.39) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL14636960 0.73 CCNE2 (0.51) CHRM2CHRM1SLC6A9
SCHEMBL14650212 0.73 SLC6A9 (0.39) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL15858041 0.72 GAA (0.53) CHRM2CHRM1CXCR3
SCHEMBL27765593 0.72 GAA (0.53) CHRM2CHRM1CXCR3

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 CHRM2 1/4885CHRM1 3/4885CHRM4 2/4885
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 CHRM2 2/4885CHRM1 1/4885CHRM4 3/4885
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 CHRM2 1/4885CHRM1 2/4885CHRM4 3/4885

“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.

Send feedback