SCHEMBL3099683

SCHEMBL3099683

CN(Cc1cccc([N+](=O)[O-])c1)C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ACHE P22303 1/20 0.42
CSF1R P07333 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30921384 0.89 PYCR1 (0.56) PYCR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL313713 0.84 CRHBP (0.48) PYCR1ALDH1A1LMNASIGMAR1CSF1R
SCHEMBL3086988 0.77 NPC1 (0.44) ALDH1A1LMNASIGMAR1KMT2ACSF1R
SCHEMBL30774861 0.76 SMN1; SMN2 (0.57) ALDH1A1LMNAKMT2AMEN1CSF1R
SCHEMBL1097545 0.76 PYCR1 (0.66) PYCR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2106916 0.76 NPC1 (0.56) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL13162814 0.76 SIRT6 (0.47) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL3087992 0.74 POLB (0.76) CYP1A2CYP2C19TSHRALDH1A1POLB
SCHEMBL3085819 0.74 SIGMAR1 (0.48) TSHRALDH1A1LMNASIGMAR1
SCHEMBL8491801 0.73 CRHBP (0.54) PYCR1TSHRSIGMAR1

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 1572/4885CYP1A2 2524/4885CYP2D6 3468/4885

“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.