SCHEMBL3087992

SCHEMBL3087992

O=[N+]([O-])c1cccc(CNC2CCOCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
KMT2A Q03164 3/20 0.60
KDM1A O60341 2/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
GRIN2B Q13224 1/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.51
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45

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
SCHEMBL4531997 0.90 POLB (0.86) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL15670588 0.84 POLB (0.76) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL16464079 0.84 POLB (0.76) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL5403403 0.79 ACHE (0.78) POLBKMT2ABCHEACHEBACE1
SCHEMBL4523282 0.76 POLB (0.64) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL382597 0.76 MAP4K4 (0.46) POLBGRIN2BALDH1A1BCHEACHE
SCHEMBL28467365 0.76 CARM1 (0.56) KDM1AMAOAMAOBALDH1A1
SCHEMBL17308302 0.76 ALDH1A1 (0.49) POLBGRIN2BALDH1A1ACHEBACE1
SCHEMBL15587413 0.76 ACHE (0.60) POLBMAOBGRIN2BALDH1A1BCHE
SCHEMBL375076 0.76 CARM1 (0.56) POLBKMT2AMAOBALDH1A1BCHE

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 7 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-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US 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

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 POLB 3048/4885KMT2A 1470/4885KDM1A 1952/4885

“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.