SCHEMBL7200521

SCHEMBL7200521

CCCCOCCNc1c2ccccc2nc2c(C)ccc([N+](=O)[O-])c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
MAOA P21397 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADORA2A P29274 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
BCHE P06276 6/20 0.42
ACHE P22303 6/20 0.42

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
SCHEMBL2920283 0.94 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL2923390 0.93 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL7709053 0.92 CHRM2 (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4563885 0.87 TOP2A (0.43) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2916268 0.84 CHRM2 (0.60) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2920280 0.84 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2915128 0.83 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL7194139 0.83 CHRM2 (0.42) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL2923388 0.83 MAPT (0.49) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL2921844 0.83 CHRM2 (0.59) CHRM2CHRM1DRD2ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589961-B2 For inhibiting metastases of a tumor in a mammal NEW YORK MEDICAL COLLEGE 2003-07-08 US claimed
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NEW YORK MEDICAL COLLEGE 2002-07-25 US claimed
US-6589961-B2 For inhibiting metastases of a tumor in a mammal NEW YORK MEDICAL COLLEGE 2003-07-08 US disclosed
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NEW YORK MEDICAL COLLEGE 2002-07-25 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-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NPPA, ABCB11, ABCC9 CHRM2 858/4885CHRM1 991/4885DRD2 1284/4885

“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.