SCHEMBL3603170

SCHEMBL3603170

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PSMB8 P28062 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RIPK1 Q13546 1/20 0.33
THRB P10828 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KDR P35968 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL3595060 0.82 MAPT (0.38) MAPTESR1ESR2ALDH1A1PSMB8
SCHEMBL3605082 0.69 EDNRB (0.38) MAPTESR1ESR2ALDH1A1
SCHEMBL5773283 0.68 THRB (0.53) MAPTESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL5898903 0.66 MAPT (0.57) MAPTESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL2179662 0.63 KDR (0.48) MAPTALDH1A1SMN1; SMN2RIPK1KDR
SCHEMBL3595149 0.61 THRB (0.47) MAPTESR1ESR2ALDH1A1THRB
SCHEMBL2776957 0.60 TP53 (0.56) ALDH1A1SMN1; SMN2TAAR1
SCHEMBL1702558 0.60 TP53 (0.56) ALDH1A1SMN1; SMN2TAAR1
SCHEMBL9836058 0.60 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2TAAR1
SCHEMBL23292688 0.60 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2THRBTAAR1

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 MAPT 4392/4885ESR1 202/4885ESR2 622/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885ESR1 202/4885ESR2 622/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885ESR1 202/4885ESR2 622/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885ESR1 202/4885ESR2 622/4885

“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.