SCHEMBL7656856

SCHEMBL7656856

CC(C)C(=O)N(C)c1cccc(Br)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.38
MLYCD O95822 1/20 0.36
HTR7 P34969 2/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
GRM5 P41594 1/20 0.34
STAT3 P40763 1/20 0.32
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LIPE Q05469 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL3415515 0.85 GRM5 (0.38) CLK1MLYCDHTR7HTR1ADRD2
SCHEMBL22204222 0.84 CLK1 (0.40) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL22204210 0.84 CLK1 (0.40) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL22204207 0.84 CLK1 (0.40) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL6482424 0.81 RAB9A (0.40) MLYCDGRM5
SCHEMBL17804225 0.81 CLK1 (0.40) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL1400663 0.81 CLK1 (0.40) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL6484238 0.81 MLYCD (0.34) MLYCD
SCHEMBL6482760 0.80 MLYCD (0.33) MLYCDMMP9
SCHEMBL10691214 0.77 ACACB (0.33) MLYCDMMP9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469172-B2 2-AMINO-6-((4-AMINOPIPERIDIN-1-YL)METHYL)PYRIDINE; CHEMICAL INTERMEDIATE FOR MUSCARINIC M3 RECEPTOR ANTAGONISTS; ACYLATION OF 2-AMINO-6-BROMOPYRIDINE WITH TRIMETHYLACETIC ACID MERCK & CO., INC. 2002-10-22 US claimed
US-20010051727-A1 Process for the preparation of chemical compounds MERCK& CO., INC. 2001-12-13 US claimed

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-20010051727-A1 Process for the preparation of chemical compounds CHRM3, CHRM5, CHRM2 CLK1 3865/4885MLYCD 1839/4885HTR7 108/4885

“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.