SCHEMBL4087573

SCHEMBL4087573

Cc1c2c(c(Cc3ccc(C(C)C)cc3)c(C)c1NC(=O)NC(C)(C)C)OCC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.36
SLC5A1 P13866 1/20 0.36
PTGER4 P35408 3/20 0.34
GHSR Q92847 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PARP1 P09874 1/20 0.31
ACACB O00763 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FKBP1A P62942 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
SCHEMBL3599627 0.86 KCNQ2 (0.35) SLC5A2SLC5A1PTGER4NPC1RAB9A
SCHEMBL4082486 0.85 SLC5A2 (0.38) SLC5A2SLC5A1PTGER4MEN1KMT2A
SCHEMBL3606739 0.85 SLC5A2 (0.36) SLC5A2SLC5A1PTGER4MEN1KMT2A
SCHEMBL3597317 0.83 MTNR1B (0.45) SLC5A2SLC5A1PTGER4MEN1KMT2A
SCHEMBL3607130 0.76 SLC5A2 (0.36) SLC5A2SLC5A1MEN1KMT2AMAPK1
SCHEMBL3598515 0.75 HTR2A (0.41) SLC5A2SLC5A1
SCHEMBL3597136 0.74 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL3601107 0.70 KCNQ2 (0.36) MEN1KMT2AHSD17B10
SCHEMBL4082332 0.70 MEN1 (0.36) SLC5A2SLC5A1MEN1KMT2ASMN1; SMN2
SCHEMBL3605118 0.69 CYP2D6 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 7 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-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 (3 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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885PTGER4 269/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885PTGER4 269/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885PTGER4 269/4885

“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.