SCHEMBL3092297

SCHEMBL3092297

O=[N+]([O-])c1ccc(CNC[C@H]2CC3CCC2C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 2/20 0.46
EPHX1 P07099 1/20 0.41
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL5163838 1.00 LMNA (0.47) LMNACHRM2ALDH1A1EPHX1PTPRF
SCHEMBL23022799 0.79 HTR2C (0.55) ALDH1A1MEN1KMT2ATDP1CXCR3
SCHEMBL21568885 0.79 HTR2C (0.55) ALDH1A1MEN1KMT2ATDP1CXCR3
SCHEMBL8491799 0.77 CHRM2 (0.57) CHRM2ALDH1A1EPHX1PTPRFPTPN2
Hydrochloric Acid SCHEMBL8495149 0.76 CHRM2 (0.55) CHRM2ALDH1A1EPHX1PTPRFPTPN2
SCHEMBL11779746 0.76 CHRM2 (0.49) CHRM2ALDH1A1PTPRFPTPN2PTPN1
SCHEMBL11780589 0.76 CHRM2 (0.49) LMNACHRM2EPHX1PTPRFPTPN2
SCHEMBL3099808 0.73 EPHX1 (0.59) LMNACHRM2ALDH1A1EPHX1MEN1
SCHEMBL628651 0.73 CHRM2 (0.72) CHRM2ALDH1A1PTPRFPTPN2PTPN1
SCHEMBL23022863 0.71 HTR2C (0.57) ALDH1A1MEN1KMT2ATDP1CXCR3

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 LMNA 4696/4885CHRM2 1586/4885ALDH1A1 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.