SCHEMBL3598232

SCHEMBL3598232

CCC(=O)Nc1cccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
NLRP3 Q96P20 1/20 0.35
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.31
NR4A1 P22736 1/20 0.31

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
SCHEMBL3600243 0.93 MEN1 (0.36) MEN1KMT2AHPGDNLRP3RAB9A
SCHEMBL3594362 0.89 HPGD (0.35) MEN1KMT2AHPGDCYP3A4CYP2C19
SCHEMBL3607058 0.88 KCNQ2 (0.40) MEN1KMT2AHPGDKDM4EGAA
SCHEMBL3594774 0.88 KCNQ2 (0.32) MEN1KMT2AHPGD
SCHEMBL3587470 0.88 SMN1; SMN2 (0.34) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL3593892 0.87 FFAR1 (0.31) MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3605965 0.87 MEN1 (0.33) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL3599503 0.86 HPGD (0.35) KMT2AHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3605222 0.86 NR1H4 (0.33) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL3599342 0.85 AKR1C3 (0.38) MEN1KMT2AHPGDCYP3A4CYP2D6

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 MEN1 3532/4885KMT2A 1061/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885HPGD 1416/4885

“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.