SCHEMBL3385980

SCHEMBL3385980

Nc1ccc(OC2CCN(C3CC3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.50
KCNH2 Q12809 4/20 0.50
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL738339 0.94 HRH3 (0.57) HRH3KCNH2
SCHEMBL30748858 0.84 KDM4E (0.44) HRH3KCNH2KDM4EMEN1KMT2A
SCHEMBL2816826 0.83 TDO2 (0.49) HRH3
SCHEMBL13432144 0.82 HRH3 (0.52) HRH3KCNH2
SCHEMBL736428 0.81 HRH3 (0.56) HRH3
SCHEMBL6119659 0.81 KDM4E (0.42) HRH3KCNH2KDM4EMEN1KMT2A
SCHEMBL1749039 0.80 LOX (0.44) HRH3KDM4EMEN1KMT2A
SCHEMBL30748953 0.80 LOX (0.44) HRH3KDM4EMEN1KMT2A
SCHEMBL2228866 0.80 KDM4E (0.42) HRH3KCNH2KDM4EMEN1KMT2A
SCHEMBL3651197 0.79 LOX (0.46) HRH3KDM4EMEN1KMT2A

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 HRH3 476/4885KCNH2 2279/4885KDM4E 2587/4885

“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.