SCHEMBL3606739

SCHEMBL3606739

CCC(=O)Nc1c(C)c2c(c(Cc3ccc(C(C)C)cc3)c1C)OCC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.36
SLC5A1 P13866 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PTGER4 P35408 1/20 0.34
NLRP3 Q96P20 1/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACACB O00763 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FKBP1A P62942 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 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
SCHEMBL3597317 0.92 MTNR1B (0.45) SLC5A2SLC5A1MTNR1AMTNR1BPTGER4
SCHEMBL3599627 0.89 KCNQ2 (0.35) SLC5A2SLC5A1MTNR1AMTNR1BPTGER4
SCHEMBL4087573 0.85 SLC5A2 (0.36) SLC5A2SLC5A1PTGER4MEN1KMT2A
SCHEMBL4082486 0.84 SLC5A2 (0.38) SLC5A2SLC5A1MTNR1AMTNR1BPTGER4
SCHEMBL3607130 0.78 SLC5A2 (0.36) SLC5A2SLC5A1GAAMEN1KMT2A
SCHEMBL3598515 0.77 HTR2A (0.41) SLC5A2SLC5A1
SCHEMBL3597136 0.76 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL3599545 0.75 MTNR1B (0.39) MTNR1AMTNR1BGAAMEN1KMT2A
SCHEMBL3601107 0.72 KCNQ2 (0.36) MEN1KMT2AHSD17B10
SCHEMBL3602327 0.71 SLC5A2 (0.37) SLC5A2NLRP3MEN1KMT2ANPC1

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 SLC5A2 2887/4885SLC5A1 2023/4885MTNR1A 75/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885MTNR1A 75/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885MTNR1A 75/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885MTNR1A 75/4885

“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.