SCHEMBL4068907

SCHEMBL4068907

N#Cc1ccccc1CCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLAU P00749 1/20 0.43
CYP2D6 P10635 1/20 0.43
DAO P14920 1/20 0.43
MTNR1A P48039 1/20 0.42
NQO2 P16083 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
ACP3 P15309 1/20 0.41

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
SCHEMBL27517494 0.85 CA1 (0.55) CA1CA2CYP1A2CYP2C19CYP2C9
SCHEMBL2154210 0.84 SMN1; SMN2 (0.49) CYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3047898 0.82 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9ALDH1A1CYP2D6
SCHEMBL59702 0.78 CA1 (0.69) CA1CA2CYP1A2ALDH1A1MAPT
SCHEMBL1823898 0.77 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL25405344 0.76 CA1 (0.67) CA1CA2CYP1A2ALDH1A1MAPT
SCHEMBL28248440 0.76 CYP19A1 (0.46) CA1CA2CYP1A2ALDH1A1MAPT
SCHEMBL27593533 0.76 CA1 (0.67) CA1CA2CYP1A2ALDH1A1MAPT
Hydrogen Sulfide SCHEMBL29288363 0.76 CA1 (0.67) CA1CA2CYP1A2ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL27660602 0.76 CA1 (0.67) CA1CA2CYP1A2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 EP disclosed
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 EP 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-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
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
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP disclosed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO disclosed
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R CA1 3855/4885CA2 3199/4885CYP1A2 2257/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R CA1 4211/4885CA2 3410/4885CYP1A2 2382/4885

“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.