SCHEMBL12414828

SCHEMBL12414828

CCC/C=C\CCCC(=O)OC(C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CNR1 P21554 2/20 0.51
HPGD P15428 1/20 0.51
CNR2 P34972 1/20 0.51
LMNA P02545 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
MGLL Q99685 1/20 0.42
THRB P10828 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
LPAR1 Q92633 1/20 0.40

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
SCHEMBL12116746 1.00 FAAH (0.51) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL12116748 0.92 FAAH (0.61) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL12414826 0.92 FAAH (0.61) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL12116743 0.87 PRKCA (0.56) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL12116740 0.87 PRKCA (0.59) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL12116739 0.87 PRKCA (0.59) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL12116834 0.86 FAAH (0.51) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL17467181 0.86 FAAH (0.51) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL14899314 0.86 LMNA (0.61) FAAHALDH1A1MAPTCNR1HPGD
SCHEMBL15483549 0.83 ALDH1A1 (0.56) FAAHALDH1A1MAPTCNR1HPGD

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-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-28 US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 US disclosed
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 US disclosed
US-20140221653-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-07 US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 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 (6 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-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L FAAH 3072/4885ALDH1A1 113/4885MAPT 3460/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE FAAH 565/4885ALDH1A1 599/4885MAPT 165/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE FAAH 565/4885ALDH1A1 599/4885MAPT 165/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB FAAH 210/4885ALDH1A1 307/4885MAPT 349/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 FAAH 203/4885ALDH1A1 1082/4885MAPT 2880/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE FAAH 565/4885ALDH1A1 599/4885MAPT 165/4885

“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.