SCHEMBL2016900

SCHEMBL2016900

CCNCC(=O)NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.40
EPHX2 P34913 2/20 0.40
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL2018001 0.98 LMNA (0.47) LMNAKMT2AHPGDEPHX1MEN1
SCHEMBL25447787 0.92 LMNA (0.55) LMNAKMT2AHPGDEPHX1ALDH1A1
SCHEMBL23178175 0.83 KDM4E (0.47) LMNAKMT2AHPGDEPHX1MEN1
SCHEMBL256673 0.81
SCHEMBL11682924 0.81 MTNR1A (0.50) LMNAKMT2AHPGDEPHX1MEN1
SCHEMBL12285100 0.80 GAA (0.50) LMNAKMT2AHPGDEPHX1MEN1
SCHEMBL18330360 0.80 SSTR4 (0.39) LMNAALDH1A1DPP4EPHX2L3MBTL1
Hydrochloric Acid SCHEMBL28162204 0.79
SCHEMBL2018813 0.77
Hydrochloric Acid SCHEMBL2025136 0.75 SMN1; SMN2 (0.53) KMT2AHPGDMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
EP-2190838-A1 CANNABINOID RECEPTOR LIGANDS AstraZeneca AB (SE) 2010-06-02 EP disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 WO 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 (3 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 LMNA 4238/4885KMT2A 2567/4885HPGD 2214/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 LMNA 3820/4885KMT2A 2050/4885HPGD 2739/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 LMNA 1467/4885KMT2A 939/4885HPGD 556/4885

“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.