SCHEMBL38877

SCHEMBL38877

Cc1cc(CNC(=O)C2CCN(C(=O)Oc3cccc(C(C)C)c3)CC2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MGLL Q99685 2/20 0.42
BCL9 O00512 2/20 0.42
CTNNB1 P35222 2/20 0.42
ERCC1 P07992 2/20 0.42
ERCC4 Q92889 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL38366 0.90 ERCC1 (0.44) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL43579 0.90 ACHE (0.52) PKMALDH1A1ACHEBACE1LMNA
SCHEMBL38361 0.83 ACHE (0.48) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL42710 0.79 ACHE (0.52) PKMALDH1A1ACHEBACE1LMNA
SCHEMBL38362 0.77 ACHE (0.49) PKMALDH1A1ACHEBACE1MEN1
SCHEMBL38359 0.76 ERCC1 (0.53) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL38878 0.76 ERCC1 (0.53) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL38335 0.76 ERCC1 (0.48) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL38328 0.76 ERCC1 (0.48) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL38431 0.75 ERCC1 (0.46) ALDH1A1ACHEBACE1MEN1KMT2A

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-8367835-B2 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-02-05 US disclosed
US-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HRH3, ARG1, CNR1 PKM 1800/4885ALDH1A1 643/4885ACHE 618/4885

“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.