SCHEMBL3099808

SCHEMBL3099808

O=[N+]([O-])c1ccc(CNCC2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.59
HDAC6 Q9UBN7 2/20 0.57
ALDH1A1 P00352 4/20 0.55
CHRM2 P08172 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL8491799 0.92 CHRM2 (0.57) EPHX1HDAC6ALDH1A1CHRM2HDAC3
Hydrochloric Acid SCHEMBL8495149 0.91 CHRM2 (0.55) EPHX1HDAC6ALDH1A1CHRM2HDAC3
SCHEMBL12639189 0.85 HDAC6 (0.57) EPHX1HDAC6ALDH1A1HDAC3HDAC1
SCHEMBL11779644 0.84 MMP13 (0.49) EPHX1CHRM2KMT2AMEN1LMNA
SCHEMBL11779955 0.79 MMP13 (0.47) EPHX1CHRM2KMT2AMEN1LMNA
SCHEMBL24168053 0.79 EPHX1 (0.51) EPHX1ALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL18177867 0.78 POLB (0.69) EPHX1ALDH1A1HDAC1POLBKMT2A
SCHEMBL3099025 0.78 POLB (0.69) EPHX1ALDH1A1HDAC1POLBKMT2A
SCHEMBL6610075 0.78 MAPT (0.57) EPHX1ALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL628651 0.78 CHRM2 (0.72) ALDH1A1CHRM2HDAC3HDAC1HDAC8

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
CN-101010312-B Quaternary salt chemoattractant cytokine receptor 2 antagonists JANSSEN PHARMACEUTICA NV 2011-04-20 CN disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
CN-101010312-A Quaternary salt chemoattractant cytokine receptor 2 antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-01 CN 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 EPHX1 2083/4885HDAC6 280/4885ALDH1A1 1250/4885

“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.