SCHEMBL3589770

SCHEMBL3589770

Cc1cc2c(c(C)c1NCc1ccccc1)CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
ACHE P22303 2/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHR2 Q13324 1/20 0.38
APEX1 P27695 1/20 0.36
MAOB P27338 2/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL658270 0.79 ALDH1A1 (0.39) KDM4EALDH1A1ACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL8716960 0.78 KDM4E (0.39) KDM4EALDH1A1ACHEMEN1KMT2A
SCHEMBL3605521 0.76 ACHE (0.42) KDM4EALDH1A1ACHEMEN1KMT2A
SCHEMBL658987 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3594388 0.74 ACHE (0.38) KDM4EALDH1A1ACHEMEN1KMT2A
SCHEMBL3613671 0.74 ALDH1A1 (0.36) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL533657 0.74 HTT (0.50) KDM4EALDH1A1ACHEMEN1KMT2A
SCHEMBL3600287 0.73 PSMB1 (0.42) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL18183246 0.71 HTT (0.47) KDM4EALDH1A1ACHEMEN1KMT2A
SCHEMBL8633979 0.70 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHTTSMN1; SMN2

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 KDM4E 737/4885ALDH1A1 1463/4885ACHE 2032/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885ACHE 2032/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885ACHE 2032/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885ACHE 2032/4885

“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.