SCHEMBL3094422

SCHEMBL3094422

O=[N+]([O-])c1ccc(CNCC2CCCO2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 2/20 0.63
HPGD P15428 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CHRM2 P08172 1/20 0.48

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
SCHEMBL3094414 1.00 KDM4E (0.66) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL3190829 1.00 KDM4E (0.66) KDM4EKMT2AHPGDALDH1A1HTT
Hydrochloric Acid SCHEMBL8493797 0.99 KDM4E (0.65) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL6308512 0.81 KDM4E (0.62) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL7711910 0.81 KDM4E (0.62) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL10288644 0.79 KMT2A (0.71) KMT2AHPGDALDH1A1SMN1; SMN2ATM
SCHEMBL17850457 0.79 KMT2A (0.71) KMT2AHPGDALDH1A1SMN1; SMN2ATM
SCHEMBL2237397 0.79 KMT2A (0.71) KDM4EKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL3196036 0.79 KMT2A (0.71) KDM4EKMT2AALDH1A1SMN1; SMN2ATM
SCHEMBL23531478 0.78 KMT2A (0.70) KMT2AHPGDALDH1A1SMN1; SMN2ATM

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-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
EP-1765803-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-28 EP disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 WO disclosed
WO-1999062892-A1 AMINOAZOLE COMPOUNDS NOVARTIS AG (CH) 1999-12-09 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-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 KDM4E 3919/4885KMT2A 1470/4885HPGD 1364/4885

“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.