SCHEMBL3611071

SCHEMBL3611071

CC(C)c1ccc(C2COc3ccc(NC(=O)CC(C)(C)C)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL3603627 0.78 LMNA (0.35) AAK1MEN1KMT2AHPGDLMNA
SCHEMBL3602995 0.78 HPGD (0.39) AAK1TRPV1MEN1KMT2AHPGD
SCHEMBL3595463 0.77 L3MBTL1 (0.41) AAK1L3MBTL1
SCHEMBL3596668 0.77 L3MBTL1 (0.41) AAK1L3MBTL1
SCHEMBL3586968 0.77 L3MBTL1 (0.41) AAK1L3MBTL1
SCHEMBL20953426 0.75 RAB9A (0.61) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL3600691 0.73 LTB4R (0.42) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL3604952 0.73 LMNA (0.34) AAK1MEN1KMT2AHPGDLMNA
SCHEMBL3590832 0.72 L3MBTL1 (0.35) AAK1MEN1KMT2AHPGDALDH1A1
SCHEMBL3595273 0.72 L3MBTL1 (0.35) AAK1MEN1KMT2AHPGDALDH1A1

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 AAK1 1182/4885TRPV1 15/4885MEN1 3532/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AAK1 1182/4885TRPV1 15/4885MEN1 3532/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AAK1 1182/4885TRPV1 15/4885MEN1 3532/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AAK1 1182/4885TRPV1 15/4885MEN1 3532/4885

“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.