SCHEMBL15028487

SCHEMBL15028487

CN[C@@H](C(=O)N(C)C)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 1/20 0.47
MICA Q29983 1/20 0.47
RAET1L Q5VY80 1/20 0.47
FFAR2 O15552 1/20 0.45
TSHR P16473 1/20 0.44
ROCK2 O75116 3/20 0.42
ACLY P53396 1/20 0.42
BRD4 O60885 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL15028527 0.82 ROCK2 (0.42) ROCK2HDAC4HDAC7HDAC5AOC3
SCHEMBL17970204 0.82 MAPT (0.34) KLRK1MICARAET1LTSHRROCK2
SCHEMBL8273803 0.81 ACLY (0.47) KLRK1MICARAET1LTSHRACLY
SCHEMBL7490455 0.79 FFAR2 (0.49) FFAR2TSHRROCK2BRD4HDAC4
SCHEMBL23716167 0.78 FFAR2 (0.47) FFAR2ROCK2BRD4HDAC4HDAC7
SCHEMBL1978300 0.77 HDAC4 (0.52) KLRK1MICARAET1LFFAR2TSHR
SCHEMBL6203749 0.76 MDM2 (0.50) FFAR2TSHRROCK2BRD4HDAC4
SCHEMBL7615467 0.73 ADRB2 (0.45) KLRK1MICARAET1LFFAR2TSHR
SCHEMBL18901168 0.72 ROCK2 (0.42) TSHRROCK2ACLYAOC3
SCHEMBL12872520 0.72 TSHR (0.53) FFAR2TSHRROCK2BRD4HDAC4

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-8980838-B2 Cyclized peptidomimetic small molecule inhibitors of the WDR5 and MLL1 interaction THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 US disclosed
US-20130150309-A1 CYCLIZED PEPTIDOMIMETIC SMALL MOLECULE INHIBITORS OF THE WDR5 AND MLL1 INTERACTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-13 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-20130150309-A1 CYCLIZED PEPTIDOMIMETIC SMALL MOLECULE INHIBITORS OF THE WDR5 AND MLL1 INTERACTION WDR5, WDR1, WDR77 KLRK1 4015/4885MICA 3431/4885RAET1L 604/4885

“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.