SCHEMBL6532602

SCHEMBL6532602

NCCc1ccc(-c2ccc(CCN)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.73
TAAR1 Q96RJ0 8/20 0.62
HTR2A P28223 3/20 0.62
CYP2A6 P11509 2/20 0.62
CYP1A2 P05177 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTR3A P46098 1/20 0.62
BACE1 P56817 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.60
BLM P54132 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58

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
SCHEMBL16544040 0.92 GFER (0.65) MAOBTAAR1HTR2ACYP2A6CYP1A2
SCHEMBL224548 0.90 TAAR1 (0.72) MAOBTAAR1HTR2ACYP2A6CYP1A2
SCHEMBL172790 0.89 TAAR1 (0.71) MAOBTAAR1HTR2ACYP2A6BACE1
Hydrochloric Acid SCHEMBL2538131 0.87 TAAR1 (0.68) MAOBTAAR1HTR2ACYP2A6SMN1; SMN2
SCHEMBL4839859 0.87 TAAR1 (0.86) MAOBTAAR1HTR2ACYP2A6CYP1A2
SCHEMBL9467191 0.87 TAAR1 (0.86) MAOBTAAR1HTR2ACYP2A6CYP1A2
Hydrochloric Acid SCHEMBL3168355 0.87 BLM (0.74) MAOBTAAR1HTR2ACYP2A6CYP1A2
Iodide SCHEMBL29101247 0.87 TAAR1 (0.68) MAOBTAAR1HTR2ACYP2A6CYP1A2
Hydrochloric Acid SCHEMBL3668004 0.87 BLM (0.74) MAOBTAAR1HTR2ACYP2A6CYP1A2
SCHEMBL21540874 0.85 LOXL2 (0.74) MAOBTAAR1HTR2ACYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979566-B2 Method of treatment of viral infection including HIV using water soluble fullerenes—III THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20040044062-A1 Method of treatment of viral infection including HIV using water soluble fullerenes - III FRIEDMAN SIMON H (US) 2004-03-04 US disclosed
US-6613771-B2 Prevent human retroviral reproduction, infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-02 US disclosed
US-20010041801-A1 Water soluble fullerenes with antiviral activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-15 US disclosed
US-6204391-B1 PREVENT REPRODUCTION OF HUMAN RETROVIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-03-20 US disclosed
WO-1995019949-A1 WATER SOLUBLE FULLERENES WITH ANTIVIRAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-07-27 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 (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-20040044062-A1 Method of treatment of viral infection including HIV using water soluble fullerenes - III CD4, RPP30, CASP3 MAOB 2820/4885TAAR1 4874/4885HTR2A 4366/4885
US-20010041801-A1 Water soluble fullerenes with antiviral activity ZC3HAV1, RPL35, SARS1 MAOB 2970/4885TAAR1 4875/4885HTR2A 4550/4885

“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.