SCHEMBL21714568

SCHEMBL21714568

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
GPR119 Q8TDV5 9/20 0.56
STS P08842 2/20 0.51
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 2/20 0.46
MAPT P10636 2/20 0.46
HPGDS O60760 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL23130983 0.91 GPR119 (0.50) NAMPTGPR119STSKDM4EPKM
SCHEMBL3843148 0.89 NAMPT (0.66) NAMPTGPR119STSKDM4EPKM
SCHEMBL21714300 0.88 GPR119 (0.51) NAMPTGPR119STSKDM4ETP53
SCHEMBL21714163 0.87 STS (0.56) NAMPTGPR119STSKDM4ELMNA
SCHEMBL21714105 0.86 NAMPT (0.52) NAMPTGPR119STSKDM4ETHRB
Acetic Acid SCHEMBL29880486 0.86 NAMPT (0.63) NAMPTGPR119STSKDM4EPKM
Dimethylamine SCHEMBL6608623 0.85 NAMPT (0.65) NAMPTGPR119STSKDM4EPKM
Trifluoroacetic Acid SCHEMBL29880449 0.83 NAMPT (0.60) NAMPTGPR119STSKDM4EPKM
SCHEMBL23153250 0.82 TP53 (0.47) NAMPTGPR119TP53LMNA
SCHEMBL22050474 0.81 NAMPT (0.64) NAMPTGPR119STSKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US claimed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US claimed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 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 (2 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO NAMPT 3068/4885GPR119 276/4885STS 2834/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO NAMPT 3126/4885GPR119 261/4885STS 2904/4885

“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.