SCHEMBL4820581

SCHEMBL4820581

COc1ccc(Br)cc1CN(CCCn1ccnc1)Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
QPCT Q16769 5/20 0.42
GSK3B P49841 3/20 0.42
NOS1 P29475 1/20 0.42
HMOX2 P30519 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4008727 0.85 FNTA (0.49) POLBLMNAQPCTNOS1HMOX2
SCHEMBL6746826 0.83 QPCT (0.43) KDM4ELMNAQPCTGSK3BNOS1
SCHEMBL4364804 0.80 MC4R (0.44) KDM4ELMNAALDH1A1
SCHEMBL4370820 0.79 CYP19A1 (0.50) POLBKDM4ELMNAQPCTALDH1A1
SCHEMBL4824563 0.78 CYP1A2 (0.44) KDM4ELMNAALDH1A1
SCHEMBL4820572 0.77 KDM4E (0.41) POLBKDM4ELMNAQPCTGSK3B
SCHEMBL4358357 0.76 SMPD1 (0.43) POLBKDM4ELMNAALDH1A1
SCHEMBL14027653 0.76 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL5796215 0.74 MC4R (0.54) KDM4ELMNAALDH1A1
SCHEMBL19786271 0.72 QPCT (0.58) POLBLMNAQPCTALDH1A1

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
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
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
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R POLB 3332/4885KDM4E 1351/4885LMNA 2506/4885

“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.