SCHEMBL6895744

SCHEMBL6895744

CCCCCCC(CCCCC)C(=O)OC(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
FAAH O00519 5/20 0.46
ABCB1 P08183 1/20 0.45
ZDHHC7 Q9NXF8 1/20 0.44
CTSK P43235 1/20 0.44
LMNA P02545 2/20 0.43
CA1 P00915 2/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
BIRC2 Q13490 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL6894122 1.00 CA2 (0.47) CA2FAAHABCB1ZDHHC7CTSK
SCHEMBL12437946 1.00 CA2 (0.47) CA2FAAHABCB1ZDHHC7CTSK
SCHEMBL12930095 1.00 CA2 (0.47) CA2FAAHABCB1ZDHHC7CTSK
SCHEMBL10087918 0.85 CA2 (0.47) CA2FAAHABCB1ZDHHC7LMNA
SCHEMBL6894231 0.85 CA2 (0.47) CA2FAAHABCB1ZDHHC7LMNA
SCHEMBL14873546 0.85 CA2 (0.47) CA2FAAHABCB1ZDHHC7LMNA
SCHEMBL12961319 0.85 CA2 (0.47) CA2FAAHABCB1ZDHHC7LMNA
SCHEMBL6894229 0.85 CA2 (0.47) CA2FAAHABCB1ZDHHC7LMNA
SCHEMBL18597022 0.85 LMNA (0.55) CA2FAAHABCB1ZDHHC7LMNA
SCHEMBL8041217 0.85 LMNA (0.55) CA2FAAHABCB1ZDHHC7LMNA

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-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 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-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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 (5 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-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B CA2 4238/4885FAAH 193/4885ABCB1 557/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CA2 3182/4885FAAH 210/4885ABCB1 758/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CA2 3676/4885FAAH 164/4885ABCB1 231/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 CA2 2668/4885FAAH 735/4885ABCB1 6/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 CA2 2668/4885FAAH 735/4885ABCB1 6/4885

“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.