SCHEMBL3596868

SCHEMBL3596868

CC(C)c1ccc(C(=O)C2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.54
MGLL Q99685 9/20 0.53
FAAH O00519 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
NFKB1 P19838 1/20 0.46
EPHX2 P34913 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL2923177 0.92 MGLL (0.56) MGLLFAAHALDH1A1POLBGAA
SCHEMBL14312084 0.84 SRD5A2 (0.54) SRD5A2ALDH1A1KMT2ALMNAEPHX1
SCHEMBL4038817 0.84 MEN1 (0.66) MGLLFAAHMEN1KMT2A
SCHEMBL14312085 0.84 SRD5A2 (0.54) SRD5A2ALDH1A1KMT2ALMNAEPHX1
SCHEMBL11195181 0.84 SRD5A2 (0.54) SRD5A2ALDH1A1KMT2ALMNAEPHX1
SCHEMBL13006686 0.83 MGLL (0.49) MGLLFAAHALDH1A1SMN1; SMN2NPC1
SCHEMBL21775932 0.83 MGLL (0.59) MGLLFAAHALDH1A1SMN1; SMN2MEN1
SCHEMBL13144199 0.83 NPSR1 (0.54) SRD5A2ALDH1A1POLBNPC1RAB9A
SCHEMBL20884980 0.82 MGLL (0.48) MGLLFAAHALDH1A1POLBGAA
SCHEMBL13144197 0.82 NPSR1 (0.52) SRD5A2ALDH1A1POLBMEN1KMT2A

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
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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 (4 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 SRD5A2 1057/4885MGLL 1241/4885FAAH 26/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SRD5A2 1057/4885MGLL 1241/4885FAAH 26/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SRD5A2 1057/4885MGLL 1241/4885FAAH 26/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SRD5A2 1057/4885MGLL 1241/4885FAAH 26/4885

“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.