SCHEMBL3598172

SCHEMBL3598172

Cc1c(C)c2c(c(C)c1NCc1ccccc1)C(=O)C(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.43
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
PRTN3 P24158 1/20 0.40
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
APEX1 P27695 1/20 0.37
MAOB P27338 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHR2 Q13324 1/20 0.36
BRD4 O60885 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
SCHEMBL3595952 0.95 PSMB1 (0.43) PSMB1ELANECTSGPRTN3KMT2A
SCHEMBL3604148 0.90 PSMB1 (0.43) PSMB1ELANECTSGPRTN3KMT2A
SCHEMBL3600287 0.80 PSMB1 (0.42) PSMB1ELANECTSGPRTN3KMT2A
SCHEMBL657235 0.75 HSD17B10 (0.41) PSMB1ELANECTSGPRTN3KMT2A
SCHEMBL658270 0.72 ALDH1A1 (0.39) PSMB1KMT2AMEN1APEX1KDM4E
Hydrochloric Acid SCHEMBL8716960 0.71 KDM4E (0.39) PSMB1KMT2AMEN1APEX1KDM4E
SCHEMBL13887501 0.67 MAPKAPK2 (0.53) KMT2AMEN1MAOBKDM4EALDH1A1
SCHEMBL4969907 0.67 HTT (0.40) IDO1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2326685 0.65 HTT (0.50) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL3747115 0.64 MAPKAPK2 (0.66) KMT2AMEN1IDO1KDM4EALDH1A1

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 PSMB1 2423/4885ELANE 4536/4885CTSG 4088/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PSMB1 2423/4885ELANE 4536/4885CTSG 4088/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PSMB1 2423/4885ELANE 4536/4885CTSG 4088/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PSMB1 2423/4885ELANE 4536/4885CTSG 4088/4885

“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.