SCHEMBL3594362

SCHEMBL3594362

CC(=O)c1cccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
GRIA2 P42262 2/20 0.34
MEN1 O00255 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
CREBBP Q92793 1/20 0.32
KCNQ2 O43526 1/20 0.31
KCNH2 Q12809 1/20 0.31
NLRP3 Q96P20 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3605222 0.92 NR1H4 (0.33) HPGDKMT2ARAB9AMEN1KCNQ2
SCHEMBL3600243 0.91 MEN1 (0.36) HPGDKMT2ARAB9AGRIA2MEN1
SCHEMBL3599503 0.91 HPGD (0.35) HPGDKMT2ARAB9A
SCHEMBL3594774 0.90 KCNQ2 (0.32) HPGDKMT2AMEN1KCNQ2L3MBTL1
SCHEMBL3607058 0.90 KCNQ2 (0.40) HPGDKMT2AMEN1KCNQ2L3MBTL1
SCHEMBL3587470 0.89 SMN1; SMN2 (0.34) HPGDKMT2ARAB9AMEN1KCNQ2
SCHEMBL3598232 0.89 MEN1 (0.38) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL3593892 0.88 FFAR1 (0.31) HPGDKMT2AMEN1KCNQ2
SCHEMBL3605965 0.88 MEN1 (0.33) KMT2AMEN1AKR1C3AKR1C2BRD4
SCHEMBL3599342 0.87 AKR1C3 (0.38) HPGDKMT2ACYP1A2CYP3A4CYP2C9

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 HPGD 1416/4885KMT2A 1061/4885CYP1A2 227/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885KMT2A 1061/4885CYP1A2 227/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885KMT2A 1061/4885CYP1A2 227/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885KMT2A 1061/4885CYP1A2 227/4885

“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.