SCHEMBL5152191

SCHEMBL5152191

[CH]1OCC(Cc2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRM2 Q14416 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40

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
SCHEMBL11198463 0.82 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3GRM2
SCHEMBL1858039 0.77 LMNA (0.50) TAAR1
SCHEMBL51254 0.76 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL2186411 0.76 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL873444 0.76 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3GRM2TAAR1
Methane SCHEMBL28820455 0.74 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL183865 0.73 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL989433 0.73 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL14912005 0.71 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3GRM2TAAR1
Dimethylamine SCHEMBL28875130 0.69 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3GRM2TAAR1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205202-A Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof 华南理工大学 2020-05-29 CN claimed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US claimed
US-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-05-26 US claimed
EP-0912552-B1 2,4-DIAMINOPYRIMIDINE DERIVATES AS DOPAMINE D4 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2004-04-21 EP claimed
CN-1134431-C 2,4-diaminopyrimidine derivatives as dopamine D4 receptor antagonists ��˹��ŵ�� 2004-01-14 CN claimed
US-6395742-B1 PSYCHOLOGICAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-28 US claimed
CN-1218466-A 2,4-diaminopyrimidine derivatives as dopamine d4 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-06-02 CN claimed
EP-0912552-A1 2,4-DIAMINOPYRIMIDINE DERIVATES AS DOPAMINE D4 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1999-05-06 EP claimed
WO-1997043279-A1 2,4-DIAMINOPYRIMIDINE DERIVATES AS DOPAMINE D4 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-20 WO claimed
EP-0785923-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-30 EP claimed
WO-1996011909-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-25 WO claimed
CN-111205202-A Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof 华南理工大学 2020-05-29 CN disclosed
CN-101918387-B Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL CO 2013-07-24 CN disclosed
CN-101918387-A Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL CO 2010-12-15 CN disclosed
CN-100519525-C Aromatic sulfones and their medical use GLAXO GROUP LTD (GB) 2009-07-29 CN disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed
CN-1218466-A 2,4-diaminopyrimidine derivatives as dopamine d4 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-06-02 CN disclosed
EP-0912552-A1 2,4-DIAMINOPYRIMIDINE DERIVATES AS DOPAMINE D4 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1999-05-06 EP disclosed
WO-1997043279-A1 2,4-DIAMINOPYRIMIDINE DERIVATES AS DOPAMINE D4 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-20 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 SLC6A2 723/4885SLC6A4 811/4885SLC6A3 420/4885
US-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders TRPV2, RYR2, VDAC2 SLC6A2 2788/4885SLC6A4 2372/4885SLC6A3 3666/4885

“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.