SCHEMBL3088232

SCHEMBL3088232

CN(Cc1ccc([N+](=O)[O-])cc1)CC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.51
CSF1R P07333 2/20 0.47
KCNH2 Q12809 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KCNJ1 P48048 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
TMEM97 Q5BJF2 2/20 0.39
ACHE P22303 1/20 0.39
MAPK1 P28482 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
IDO1 P14902 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7293302 0.83 SIRT6 (0.52) PYCR1ALDH1A1LMNAMAPTHRH3
SCHEMBL11776717 0.83 KCNH2 (0.54) PYCR1KCNH2CRHBPCRHR2ALDH1A1
SCHEMBL313713 0.81 CRHBP (0.48) PYCR1CSF1RKCNH2CRHBPCRHR2
SCHEMBL3155392 0.81 PYCR1 (0.54) PYCR1KCNH2CRHBPCRHR2ALDH1A1
SCHEMBL3182108 0.79 KDM4E (0.54) PYCR1KCNH2CRHBPCRHR2ALDH1A1
SCHEMBL3081888 0.79 KDM4E (0.54) PYCR1KCNH2CRHBPCRHR2ALDH1A1
SCHEMBL3081891 0.79 KDM4E (0.54) PYCR1KCNH2CRHBPCRHR2ALDH1A1
SCHEMBL24085875 0.79 PYCR1 (0.45) PYCR1CSF1RKCNH2HTT
SCHEMBL3087967 0.79 HTT (0.43) CSF1RMAPTHTT
SCHEMBL1191857 0.78 HTT (0.54) PYCR1CSF1RALDH1A1LMNASMN1; SMN2

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 PYCR1 1572/4885CSF1R 36/4885KCNH2 2931/4885

“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.