SCHEMBL4823748

SCHEMBL4823748

Clc1cccc(C2=NC3CCCCC3N2)c1CCc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
SLC18A2 Q05940 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
P2RX7 Q99572 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
KCNH2 Q12809 1/20 0.33
DAO P14920 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
FAAH O00519 2/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL14027021 1.00 TOP2A (0.36) TOP2ATOP2BSLC18A2SIGMAR1P2RX7
SCHEMBL14181911 1.00 TOP2A (0.36) TOP2ATOP2BSLC18A2SIGMAR1P2RX7
SCHEMBL4822548 0.88 KCNH2 (0.39) TOP2ATOP2BKCNH2
SCHEMBL14027018 0.88 TOP2A (0.40) TOP2ATOP2BSLC18A2SIGMAR1ATM
SCHEMBL4822922 0.88 TOP2A (0.40) TOP2ATOP2BSLC18A2SIGMAR1ATM
SCHEMBL14027031 0.87 TOP2A (0.34) TOP2ATOP2BNPSR1CYP1A2CYP2A6
SCHEMBL4818054 0.87 TOP2A (0.34) TOP2ATOP2BNPSR1CYP1A2CYP2A6
SCHEMBL5794290 0.85
SCHEMBL4823727 0.79 TOP2A (0.36) TOP2ATOP2BSLC18A2ALDH1A1CYP1A2
SCHEMBL14027016 0.79 TOP2A (0.36) TOP2ATOP2BSLC18A2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 WO disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R TOP2A 4453/4885TOP2B 3602/4885SLC18A2 334/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R TOP2A 4121/4885TOP2B 3389/4885SLC18A2 465/4885

“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.