SCHEMBL6133472

SCHEMBL6133472

C[C@H](OCc1ccccc1)C1CO1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTT P42858 2/20 0.40
OGA O60502 1/20 0.40
TSHR P16473 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL7849263 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTTOGA
SCHEMBL11961364 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTTOGA
SCHEMBL11961363 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTTOGA
SCHEMBL8588353 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTTOGA
SCHEMBL10591424 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL10591418 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL5881237 0.81 IDO1 (0.44) SLC6A4OGA
SCHEMBL11961360 0.80 TMEM97 (0.38) SLC6A2SLC6A4SLC6A3HTTOGA
SCHEMBL1487127 0.80 TMEM97 (0.38) SLC6A2SLC6A4SLC6A3HTTOGA
SCHEMBL11961357 0.80 TMEM97 (0.38) SLC6A2SLC6A4SLC6A3HTTOGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202287-A1 Stem Cell Culture Methods ITI SCOTLAND LIMITED (GB) 2012-08-09 US disclosed
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed
EP-1098885-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO 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-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ADA, AMPD2, AMPD1 SLC6A2 1183/4885SLC6A4 1613/4885SLC6A3 736/4885
US-20120202287-A1 Stem Cell Culture Methods KIT, SOX18, MCL1 SLC6A2 3694/4885SLC6A4 3811/4885SLC6A3 3805/4885

“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.