SCHEMBL16801592

SCHEMBL16801592

CC(=O)N1CCC(c2c[nH]c3ccccc23)C1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.85
BRD4 O60885 1/20 0.85
ALDH1A1 P00352 1/20 0.85
POLB P06746 1/20 0.85
CREBBP Q92793 1/20 0.85
HSD11B1 P28845 6/20 0.67
ATM Q13315 1/20 0.65
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
CYP2D6 P10635 1/20 0.54
ADRA1D P25100 3/20 0.52
ADRB2 P07550 1/20 0.50
HTR2C P28335 1/20 0.50
CCR2 P41597 1/20 0.50

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
SCHEMBL5705098 0.92 KDM4E (1.00) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801591 0.89 KDM4E (0.75) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5202689 0.85 HSD11B1 (0.67) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL14181451 0.83 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705116 0.82 KDM4E (0.78) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27559063 0.82 KDM4E (0.78) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801496 0.82 KDM4E (0.76) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27201572 0.82 HSD11B1 (0.64) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324984 0.81 KDM4E (0.76) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5205141 0.81 HSD11B1 (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.