SCHEMBL3081891

SCHEMBL3081891

CN(Cc1ccc([N+](=O)[O-])cc1)CC1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
PYCR1 P32322 1/20 0.49
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3182108 1.00 KDM4E (0.54) KDM4EKMT2AMEN1PYCR1HPGD
SCHEMBL3081888 1.00 KDM4E (0.54) KDM4EKMT2AMEN1PYCR1HPGD
SCHEMBL8492330 0.82 KDM4E (0.52) KDM4EKMT2AMEN1HPGDMAPT
SCHEMBL3155392 0.81 PYCR1 (0.54) KDM4EKMT2AMEN1PYCR1MAPT
SCHEMBL82476 0.81 KMT2A (0.51) KMT2AMEN1HPGDMAPTGAA
SCHEMBL3094416 0.80 GAA (0.45) KMT2AMEN1MAPTGAA
SCHEMBL3190543 0.80 GAA (0.45) KMT2AMEN1MAPTGAA
SCHEMBL16373718 0.80 GAA (0.59) KMT2AMEN1MAPTGAA
SCHEMBL3094410 0.80 GAA (0.45) KMT2AMEN1MAPTGAA
SCHEMBL6308512 0.79 KDM4E (0.62) KDM4EKMT2AMEN1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 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-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 KDM4E 3919/4885KMT2A 1470/4885MEN1 4686/4885

“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.