SCHEMBL4610282

SCHEMBL4610282

CC(C)(Cc1ccc2ccccc2c1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ALPG P10696 1/20 0.44
KMT2A Q03164 1/20 0.44
CASR P41180 3/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CYP19A1 P11511 2/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GSR P00390 1/20 0.39
TXNRD1 Q16881 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
SCHEMBL4371898 0.78 SLC6A2 (0.48) CYP1A2MEN1KMT2A
SCHEMBL7672534 0.77 ALDH1A1 (0.51) CYP1A2MAPTMMP1MMP9
SCHEMBL808935 0.77 CYP1A2 (0.55) CYP1A2CYP2A6CASRMMP1MMP9
SCHEMBL4610461 0.77 CYP1A2 (0.55) CYP1A2CYP2A6CASRMMP1MMP9
SCHEMBL19341333 0.76 CYP2A6 (0.59) CYP1A2CYP2A6KMT2ACASRHTR2A
Ammonia Solution, Strong SCHEMBL27962083 0.74 CYP2A6 (0.57) CYP1A2CYP2A6KMT2ACASRHTR2A
SCHEMBL24080507 0.73 CYP1A2 (0.55) CYP1A2CYP2A6KMT2ACASRMMP1
SCHEMBL6644343 0.73 CYP1A2 (0.50) CYP1A2CYP2A6MEN1MAPTALPG
SCHEMBL8852223 0.73 CYP2A6 (0.55) CYP1A2CYP2A6KMT2ACASRHTR2A
SCHEMBL1510917 0.73 SLC6A2 (0.57) CYP1A2CYP2A6CASRHTR2AHTR2C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 EP 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 (2 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-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL CYP1A2 1943/4885CYP2A6 236/4885MEN1 1814/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR CYP1A2 2060/4885CYP2A6 159/4885MEN1 2612/4885

“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.