SCHEMBL2575133

SCHEMBL2575133

OC(c1ccc(Br)cc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD1 P21728 1/20 0.46
SGMS2 Q8NHU3 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
LIPE Q05469 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR5 P51681 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL477534 0.89 DRD2 (0.55) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL31041187 0.87 SLC6A9 (0.47) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2578523 0.85 SGMS2 (0.54) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2577640 0.85 SGMS2 (0.54) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2577406 0.85 LIPE (0.46) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL1539311 0.84 LIPE (0.45) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2581005 0.82 DRD2 (0.41) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2577600 0.82 LIPE (0.43) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2575343 0.82 LIPE (0.43) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL4003187 0.82 MAPK1 (0.49) DRD2DRD1SGMS2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 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 (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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 DRD2 1048/4885DRD1 471/4885SGMS2 1112/4885

“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.