SCHEMBL19052159

SCHEMBL19052159

CC1CC(=O)N(C(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.33
PER2 O15055 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CRBN Q96SW2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL15097163 0.78 POLB (0.43) POLBCHRM2CHRM4CHRM5CHRM1
SCHEMBL7901443 0.78 POLB (0.43) POLBPER2MAPTLMNA
SCHEMBL7027351 0.76 POLB (0.58) POLBCHRM2CHRM1CHRM3KDM4E
SCHEMBL14275610 0.76 POLB (0.53) POLBKDM4EMAPTRXRARXRB
SCHEMBL10227031 0.76 POLB (0.53) POLBKDM4EMAPTRXRARXRB
SCHEMBL25007541 0.74 POLB (0.33) POLBCHRM2CHRM4CHRM5CHRM1
SCHEMBL21091607 0.73 POLB (0.33) POLB
SCHEMBL3973891 0.72 POLB (0.46) POLBKDM4EMAPTRXRARXRB
SCHEMBL13657304 0.72 POLB (0.50) POLBKDM4EPER2MAPTRXRA
SCHEMBL23183559 0.72 POLB (0.50) POLBKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 US disclosed
US-20210371388-A1 Bicyclic Carboxamide with Exocyclic Urea Derivatives as Antivirals for the Treatment of HBV Infection THE BARUCH S. BLUMBERG INSTITUTE 2021-12-02 US disclosed
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 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 (5 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-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA POLB 594/4885CHRM2 4876/4885CHRM4 4883/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 POLB 4588/4885CHRM2 39/4885CHRM4 11/4885
US-20210371388-A1 Bicyclic Carboxamide with Exocyclic Urea Derivatives as Antivirals for the Treatment of HBV Infection EFTUD2, UGP2, UMPS POLB 185/4885CHRM2 3746/4885CHRM4 3162/4885
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, SLC9A1 POLB 4703/4885CHRM2 1737/4885CHRM4 2630/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB POLB 4407/4885CHRM2 311/4885CHRM4 343/4885

“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.