SCHEMBL3598515

SCHEMBL3598515

Cc1c(Br)c(C)c(Cc2ccc(C(C)C)cc2)c2c1CCO2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SLC5A2 P31639 3/20 0.39
SLC5A1 P13866 2/20 0.39
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL3597136 0.86 SLC5A2 (0.39) HTR2AHTR2CHTR2BSLC5A2SLC5A1
SCHEMBL3602219 0.80 SLC5A2 (0.42) HTR2AHTR2CHTR2BSLC5A2SLC5A1
SCHEMBL3607130 0.78 SLC5A2 (0.36) SLC5A2SLC5A1
SCHEMBL3606739 0.77 SLC5A2 (0.36) SLC5A2SLC5A1
SCHEMBL3597317 0.76 MTNR1B (0.45) SLC5A2SLC5A1
SCHEMBL4087573 0.75 SLC5A2 (0.36) SLC5A2SLC5A1
SCHEMBL3599041 0.74 HTR1D (0.32) SLC5A2SLC5A1HTR1DHTR1B
SCHEMBL4082486 0.74 SLC5A2 (0.38) SLC5A2SLC5A1
SCHEMBL3595053 0.73 HTR1D (0.32) SLC5A2SLC5A1HTR1DHTR1B
SCHEMBL3601298 0.73 HTR1D (0.31) HTR1DHTR1B

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 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885

“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.