SCHEMBL4800976

SCHEMBL4800976

OC1CCC(Oc2cc(Br)ccc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
SLC6A4 P31645 7/20 0.39
HTR6 P50406 2/20 0.39
CCR5 P51681 1/20 0.39
RORC P51449 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL4804316 1.00 KMO (0.44) KMOSLC6A4HTR6CCR5RORC
SCHEMBL4800981 1.00 KMO (0.44) KMOSLC6A4HTR6CCR5RORC
SCHEMBL4805625 0.92 KMO (0.40) KMOSLC6A4HTR6CCR5
SCHEMBL4805613 0.92 KMO (0.40) KMOSLC6A4HTR6CCR5
SCHEMBL4805605 0.92 KMO (0.40) KMOSLC6A4HTR6CCR5
SCHEMBL265784 0.92 SLC6A4 (0.43) KMOSLC6A4HTR6RORC
SCHEMBL22816372 0.85 CSNK2A1 (0.47) SLC6A4HTR6
SCHEMBL4807849 0.84 SLC6A4 (0.41) KMOSLC6A4HTR6RORC
SCHEMBL4806404 0.84 SLC6A4 (0.41) KMOSLC6A4HTR6RORC
SCHEMBL4806408 0.84 SLC6A4 (0.41) KMOSLC6A4HTR6RORC

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 3 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
US-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US 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 (2 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-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 KMO 2388/4885SLC6A4 154/4885HTR6 2047/4885
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 KMO 2805/4885SLC6A4 143/4885HTR6 2169/4885

“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.