SCHEMBL16801679

SCHEMBL16801679

CN(C)CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
BRD4 O60885 1/20 0.71
ALDH1A1 P00352 1/20 0.71
POLB P06746 1/20 0.71
CREBBP Q92793 1/20 0.71
HTR2A P28223 4/20 0.56
HTR7 P34969 4/20 0.56
DRD2 P14416 2/20 0.56
KCNH2 Q12809 1/20 0.56
HSD11B1 P28845 1/20 0.55
ATM Q13315 1/20 0.54
ADRA1D P25100 3/20 0.52
JUN P05412 1/20 0.52
CDK2 P24941 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
KMT2A Q03164 1/20 0.51
CHRM4 P08173 1/20 0.51

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
SCHEMBL16801499 0.86 KDM4E (0.73) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324709 0.86 KDM4E (0.72) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801578 0.84 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801519 0.84 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801504 0.84 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705098 0.83 KDM4E (1.00) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801844 0.83 KDM4E (0.67) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801774 0.82 KDM4E (0.66) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705116 0.82 KDM4E (0.78) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801496 0.81 KDM4E (0.76) KDM4EBRD4ALDH1A1POLBCREBBP

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
EP-3082802-B1 TRYPTOPHAN-2,3-DIOXYGENASE (TDO) AND/OR INDOLAMINE-2,3-DIOXYGENASE (IDO) INHIBITORS AND THEIR USE IOMET PHARMA LTD (GB) 2020-02-26 EP disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 KDM4E 465/4885BRD4 1542/4885ALDH1A1 3981/4885

“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.