SCHEMBL6824800

SCHEMBL6824800

CC(=O)N1C(=O)[C@@H]2C=C[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ELANE P08246 3/20 0.34
POLB P06746 1/20 0.33
CREBBP Q92793 1/20 0.32
NOTUM Q6P988 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4994322 1.00 MAPK1 (0.36) MAPK1ELANEPOLBCREBBPNOTUM
SCHEMBL6824552 1.00 MAPK1 (0.36) MAPK1ELANEPOLBCREBBPNOTUM
SCHEMBL23548373 0.82 SMN1; SMN2 (0.33) MAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL23548374 0.82 SMN1; SMN2 (0.33) MAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL4998227 0.80 MEN1 (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL4989211 0.80 CHRNB2 (0.33) PKMSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6818549 0.78 ALDH1A1 (0.40) POLBPKMSMN1; SMN2ALDH1A1TDP1
SCHEMBL23583803 0.76 CHRM2 (0.37) ELANEMEN1KMT2A
SCHEMBL782700 0.76 CHRM2 (0.37) ELANEMEN1KMT2A
SCHEMBL2134581 0.76 CHRM2 (0.37) ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417153-B2 Method for the production of 3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol derivatives LONZA AG (CH) 2008-08-26 US disclosed
US-20070043225-A1 Method for the production of 3-amino-5-(hydroxymethyl) cyclopentane-1,2-diol-derivatives LONZA AG (CH) 2007-02-22 US disclosed
US-20070043225-A1 Method for the production of 3-amino-5-(hydroxymethyl) cyclopentane-1,2-diol-derivatives LONZA AG (CH) 2007-02-22 US disclosed
US-20040167351-A1 Method for preparing (1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-3-one derivatives BERNEGGER-EGLI CHRISTINE (CH) 2004-08-26 US disclosed
US-6780634-B1 Method for producing (1R,4S)-2-azabicyclo[2.2.1]-hept-5-en-3-on derivatives LONZA AG (CH) 2004-08-24 US disclosed
EP-1095160-B1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. LONZA AG (CH) 2004-01-28 EP disclosed
EP-1003903-B1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED N-DERIVATISED LACTAMS GLAXO GROUP LTD (GB) 2003-02-26 EP disclosed
US-6340587-B1 TREATING RACEMIC MIXTURE WITH ACYLASE; ISOLATING PURE ENANTIOMORPH OF N-PROTECTED (1R,4S)-2-AZABICYCLO(2.2.1)HEPT-5-EN-3-ONE SMITHKLINE BEECHAM CORPORATION 2002-01-22 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-20070043225-A1 Method for the production of 3-amino-5-(hydroxymethyl) cyclopentane-1,2-diol-derivatives SAT1, CYP8B1, ACMSD MAPK1 1703/4885ELANE 2637/4885POLB 871/4885
US-20040167351-A1 Method for preparing (1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-3-one derivatives APEH, CYP51A1, CYP8B1 MAPK1 3935/4885ELANE 886/4885POLB 951/4885

“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.