SCHEMBL20074864

SCHEMBL20074864

CC(C)(C)OC(=O)N1CCC(c2nc(C(F)(F)F)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.47
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
GPR119 Q8TDV5 8/20 0.44
HDAC6 Q9UBN7 1/20 0.43
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL14683709 0.93 HDAC4 (0.46) HDAC4MAPTTHRBKDM4EGPR119
SCHEMBL878008 0.93 HDAC4 (0.45) HDAC4MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL2899012 0.84 GPR119 (0.53) MAPTTHRBSMN1; SMN2KDM4EGAA
SCHEMBL12506046 0.82 MAPT (0.46) MAPTTHRBSMN1; SMN2KDM4EGAA
SCHEMBL12580512 0.82 MAPT (0.46) HDAC4MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL20066202 0.82 HDAC4 (0.39) HDAC4GPR119HDAC6
SCHEMBL12069832 0.81 EPHX2 (0.51) MAPTTHRBSMN1; SMN2KDM4EGAA
SCHEMBL12580567 0.80 LMNA (0.62) HDAC4MAPTSMN1; SMN2GAAGPR119
SCHEMBL14683644 0.78 USP30 (0.49) HDAC4MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL14514094 0.78 HDAC4 (0.46) HDAC4MAPTTHRBSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516876-A Compounds having a potentiating effect on the activity of ethionamide and uses thereof PASTEUR INSTITUT (FR) 2009-08-26 CN claimed
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2023-12-05 US disclosed
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-07-07 US disclosed
EP-3526207-B1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LTD (GB) 2021-09-08 EP disclosed
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2020-09-17 US disclosed
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-01 US disclosed
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2019-07-04 US disclosed
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-04-16 US disclosed
US-20180105491-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2018-04-19 US disclosed
CN-101516876-A Compounds having a potentiating effect on the activity of ethionamide and uses thereof PASTEUR INSTITUT (FR) 2009-08-26 CN 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 (8 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-20180105491-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 HDAC4 1764/4885MAPT 2117/4885THRB 433/4885
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 HDAC4 1575/4885MAPT 2822/4885THRB 238/4885
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 HDAC4 1575/4885MAPT 2822/4885THRB 238/4885
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 HDAC4 1575/4885MAPT 2822/4885THRB 238/4885
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 HDAC4 1575/4885MAPT 2822/4885THRB 238/4885
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 HDAC4 1575/4885MAPT 2822/4885THRB 238/4885
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 HDAC4 1176/4885MAPT 3778/4885THRB 140/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 HDAC4 1575/4885MAPT 2822/4885THRB 238/4885

“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.