SCHEMBL3592960

SCHEMBL3592960

Cc1cc2c(c(OCC(=O)c3ccc(C(C)C)cc3)c1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
BCHE P06276 7/20 0.42
ACHE P22303 7/20 0.42
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3600654 0.98 L3MBTL1 (0.45) L3MBTL1HPGDMAPTNPC1HTT
SCHEMBL3602669 0.74 USP5 (0.47) L3MBTL1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL3606437 0.71 TP53 (0.45) L3MBTL1NPC1RAB9ABCHEACHE
SCHEMBL3601091 0.71 MAPT (0.48) L3MBTL1HPGDMAPTNPC1HTT
SCHEMBL17129273 0.68 L3MBTL1 (0.52) L3MBTL1HPGDMAPTNPC1RAB9A
SCHEMBL3609276 0.67 L3MBTL1 (0.54) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3603222 0.67 GBA1 (0.43) HPGDMAPTHTTSMN1; SMN2LMNA
SCHEMBL3597347 0.67 HTT (0.59) L3MBTL1MAPTHTTLMNABCHE
SCHEMBL3601655 0.65 THRB (0.51) HPGDALDH1A1BCHEACHEKDM4E
SCHEMBL3598090 0.65 BCHE (0.45) L3MBTL1HPGDALDH1A1BCHEACHE

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 L3MBTL1 3559/4885HPGD 1416/4885MAPT 4392/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885HPGD 1416/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885HPGD 1416/4885MAPT 4392/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885HPGD 1416/4885MAPT 4392/4885

“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.