SCHEMBL6895328

SCHEMBL6895328

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPT P10636 3/20 0.69
FAAH O00519 3/20 0.69
HPGD P15428 2/20 0.69
CNR2 P34972 2/20 0.69
MGLL Q99685 1/20 0.58
THRB P10828 1/20 0.57
PPARG P37231 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
CYP19A1 P11511 1/20 0.57
FABP4 P15090 1/20 0.57
ALOX15 P16050 1/20 0.57
CASP1 P29466 1/20 0.57

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
SCHEMBL12116836 0.95 ALDH1A1 (0.63) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL12414882 0.95 FAAH (0.61) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL12116847 0.95 FAAH (0.61) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL12116846 0.91 PRKCA (0.59) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL12116838 0.91 PRKCA (0.59) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL12116821 0.91 PRKCA (0.59) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL3662637 0.88 CNR1 (0.73) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL3662634 0.88 CNR1 (0.73) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL17467181 0.87 FAAH (0.51) CNR1ALDH1A1MAPTFAAHHPGD
SCHEMBL12116834 0.87 FAAH (0.51) CNR1ALDH1A1MAPTFAAHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
US-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-20150376143-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LTD (IE) 2015-12-31 US disclosed
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders MORGAN STANLEY SENIOR FUNDING, INC. 2015-10-01 US disclosed
US-8796276-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-05 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-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LIMITED 2013-04-18 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs 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
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 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 (12 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CNR1 127/4885ALDH1A1 599/4885MAPT 165/4885
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CNR1 127/4885ALDH1A1 599/4885MAPT 165/4885
US-20150376143-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CNR1 493/4885ALDH1A1 1082/4885MAPT 2880/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CNR1 127/4885ALDH1A1 599/4885MAPT 165/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CNR1 493/4885ALDH1A1 1082/4885MAPT 2880/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CNR1 493/4885ALDH1A1 1082/4885MAPT 2880/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B CNR1 54/4885ALDH1A1 432/4885MAPT 1129/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CNR1 257/4885ALDH1A1 760/4885MAPT 363/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CNR1 493/4885ALDH1A1 1082/4885MAPT 2880/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CNR1 127/4885ALDH1A1 599/4885MAPT 165/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 CNR1 258/4885ALDH1A1 172/4885MAPT 3806/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CNR1 127/4885ALDH1A1 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.