SCHEMBL4328635

SCHEMBL4328635

CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.56
IDO1 P14902 2/20 0.48
TDO2 P48775 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
TACR1 P25103 1/20 0.46
BCHE P06276 2/20 0.45
HTR6 P50406 2/20 0.45
MAPK8 P45983 1/20 0.45
BRD3 Q15059 1/20 0.44
NR1D1 P20393 1/20 0.44
ENPP2 Q13822 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
METTL3 Q86U44 1/20 0.43

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
SCHEMBL653520 0.90 HTT (0.54) STSIDO1TDO2KDM4EPKM
SCHEMBL653519 0.90 HTT (0.54) STSIDO1TDO2KDM4EPKM
SCHEMBL4319076 0.87 EPHX2 (0.50) STSIDO1TDO2KDM4EPKM
SCHEMBL5984831 0.84 STS (0.56) STSTACR1MAPK8HTT
SCHEMBL4329719 0.84 ALDH1A1 (0.56) STSIDO1TDO2KDM4EPKM
SCHEMBL23686798 0.83 BRD3 (0.52) IDO1TDO2KDM4EPKMBCHE
SCHEMBL20794525 0.83 BRD3 (0.52) IDO1TDO2KDM4EPKMBCHE
SCHEMBL20794577 0.83 BRD3 (0.52) IDO1TDO2KDM4EPKMBCHE
SCHEMBL3979358 0.82 KDM4E (0.57) STSKDM4EPKMNR1D1SMN1; SMN2
SCHEMBL17061863 0.82 STS (0.61) STSKDM4EPKMENPP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 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 (1 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-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake SLC6A2, TPH1, SLC6A3 STS 2676/4885IDO1 97/4885TDO2 173/4885

“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.