SCHEMBL3596592

SCHEMBL3596592

CCc1ccc(-c2coc3c(C)c(C)c(NCc4ccccc4)c(C)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
MAPT P10636 4/20 0.35
TP53 P04637 3/20 0.34
POLB P06746 4/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ACHE P22303 3/20 0.32
BCHE P06276 1/20 0.32
BACE1 P56817 1/20 0.32
APAF1 O14727 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3599277 0.89 EDNRB (0.36) THRBMAPTTP53
SCHEMBL3599718 0.87 NPBWR1 (0.38) THRBMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3603170 0.73 MAPT (0.38) THRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL5773283 0.70 THRB (0.53) THRBMAPTTP53SMN1; SMN2KMT2A
SCHEMBL856236 0.64 POLB (0.69) MAPTTP53POLBHTTRAB9A
SCHEMBL2326685 0.62 HTT (0.50) MAPTTP53POLBHTTSMN1; SMN2
SCHEMBL15474335 0.62 MEN1 (0.66) MAPTTP53POLBHTTRAB9A
SCHEMBL27313655 0.61 TP53 (0.67) THRBMAPTTP53POLBRAB9A
Ethylbenzene SCHEMBL28491033 0.61 TP53 (0.82) MAPTTP53RAB9ASMN1; SMN2ALDH1A1
Ethylbenzene SCHEMBL27405402 0.60 TP53 (0.93) TP53POLBRAB9ASMN1; SMN2KMT2A

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 THRB 779/4885MAPT 4392/4885TP53 4621/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885TP53 4621/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885TP53 4621/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885TP53 4621/4885

“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.