SCHEMBL4070409

SCHEMBL4070409

N#Cc1cc(CCc2c(F)cccc2C(=O)O)c2occc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 12/20 0.48
▸ XDH P47989 11/20 0.48
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALB P02768 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL14027060 0.88 SLC22A12 (0.42) SLC22A12XDHMEN1GAAMAPT
SCHEMBL4068028 0.84 MC4R (0.36) SLC22A12XDHALBCTNNB1WNT3A
SCHEMBL13147183 0.77 CHRM1 (0.42) —
SCHEMBL4068194 0.74 MC4R (0.51) SLC22A12XDH
SCHEMBL4073384 0.72 MC4R (0.42) MAPT
SCHEMBL18585489 0.72 SLC22A12 (0.66) SLC22A12XDHCYP2C8CYP2C9HTT
SCHEMBL18585730 0.71 SLC22A12 (0.65) SLC22A12XDHCYP2C8CYP2C9
SCHEMBL18607473 0.70 SLC22A12 (0.78) SLC22A12XDHCYP2C8CYP2C9
SCHEMBL16559363 0.70 ALB (0.49) ALBMEN1KMT2A
SCHEMBL4070412 0.70 MC4R (0.32) SLC22A12XDH

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 10 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
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

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 SLC22A12 1313/4885XDH 488/4885CYP2C8 2679/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R SLC22A12 1401/4885XDH 402/4885CYP2C8 3167/4885

“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.

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