SCHEMBL4823892

SCHEMBL4823892

COc1ccc(Br)cc1COC1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR2A P28223 4/20 0.43
HTR2C P28335 3/20 0.43
SLC6A4 P31645 1/20 0.43
PDE4B Q07343 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 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
SCHEMBL14027333 0.90 SLC6A4 (0.46) TACR1KDM4ETDP1CHRM2CHRM1
SCHEMBL4160343 0.87 TACR1 (0.42) TACR1KDM4ETDP1CHRM2CHRM1
Hydrochloric Acid SCHEMBL4906259 0.87 TACR1 (0.41) TACR1KDM4ETDP1CHRM2CHRM1
SCHEMBL14027319 0.80 SLC6A4 (0.41) TACR1KDM4EHTR2AHTR2CSLC6A4
SCHEMBL4370819 0.80 SLC6A4 (0.41) TACR1KDM4EHTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL4909632 0.79 SLC6A4 (0.40) TACR1KDM4EHTR2AHTR2CSLC6A4
SCHEMBL14256237 0.76 CHRM2 (0.58) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL20456011 0.75 KDM4E (0.51) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL14256232 0.74 CHRNB2 (0.52) TACR1CHRM2CHRM1CHRNB2CHRM3
SCHEMBL4816192 0.73 KDM4E (0.56) KDM4ETDP1MEN1ALDH1A1KMT2A

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 TACR1 180/4885KDM4E 1351/4885TDP1 4856/4885

“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.