SCHEMBL4806404

SCHEMBL4806404

COC1CCC(Oc2cc(Br)ccc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.41
HTR6 P50406 2/20 0.39
UTS2R Q9UKP6 5/20 0.39
KMO O15229 1/20 0.39
RORC P51449 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4807849 1.00 SLC6A4 (0.41) SLC6A4HTR6UTS2RKMORORC
SCHEMBL4806408 1.00 SLC6A4 (0.41) SLC6A4HTR6UTS2RKMORORC
SCHEMBL265784 0.92 SLC6A4 (0.43) SLC6A4HTR6KMORORC
SCHEMBL4809034 0.91 SLC6A4 (0.40) SLC6A4HTR6UTS2RKMOSLC6A3
SCHEMBL4809017 0.91 SLC6A4 (0.40) SLC6A4HTR6UTS2RKMOSLC6A3
SCHEMBL4809021 0.91 SLC6A4 (0.40) SLC6A4HTR6UTS2RKMOSLC6A3
SCHEMBL22816372 0.85 CSNK2A1 (0.47) SLC6A4HTR6NPY1RNPY2R
SCHEMBL4800981 0.84 KMO (0.44) SLC6A4HTR6KMORORC
SCHEMBL4800976 0.84 KMO (0.44) SLC6A4HTR6KMORORC
SCHEMBL4804316 0.84 KMO (0.44) SLC6A4HTR6KMORORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417032-B2 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-26 US disclosed
EP-1773800-A1 D-GLUCOPYRANOSYL PHENYL-SUBSTITUTED CYCLENE, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2007-04-18 EP disclosed
WO-2006010557-A1 D-GLUCOPYRANOSYL PHENYL-SUBSTITUTED CYCLENE, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 WO disclosed
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US 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 (1 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-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 SLC6A4 143/4885HTR6 2169/4885UTS2R 2537/4885

“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.