SCHEMBL2757960

SCHEMBL2757960

CC(=O)N1CCCC(C(=O)NC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.43
MAPK10 P53779 4/20 0.43
MAPK14 Q16539 4/20 0.43
DUSP22 Q9NRW4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2R P25116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL16095734 0.87 LMNA (0.45) DUSP22ALDH1A1MAPK1KMT2APOLB
SCHEMBL2757957 0.86 HPGD (0.50) DUSP22ALDH1A1KMT2APOLBLMNA
SCHEMBL2757938 0.83 MEN1 (0.48) DUSP22ALDH1A1MAPK1KMT2ALMNA
SCHEMBL21097019 0.82 DUSP22 (0.40) DUSP22KMT2APOLBLMNAMEN1
SCHEMBL13701692 0.82 KMT2A (0.59) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL21097023 0.82 DUSP22 (0.40) DUSP22KMT2APOLBLMNAMEN1
SCHEMBL12409536 0.81 BCHE (0.50) MAPK8MAPK10MAPK14ALDH1A1MAPK1
SCHEMBL14447744 0.81 BCHE (0.50) MAPK8MAPK10MAPK14ALDH1A1MAPK1
SCHEMBL15865743 0.81 DUSP22 (0.40) DUSP22ALDH1A1KMT2APOLBLMNA
SCHEMBL20837312 0.80 MAPK8 (0.44) MAPK8MAPK10MAPK14ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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 (4 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MAPK8 2676/4885MAPK10 1896/4885MAPK14 3529/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK MAPK8 220/4885MAPK10 310/4885MAPK14 101/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MAPK8 2676/4885MAPK10 1896/4885MAPK14 3529/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MAPK8 2676/4885MAPK10 1896/4885MAPK14 3529/4885

“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.