SCHEMBL3587080

SCHEMBL3587080

Cc1ccc(S(=O)(=O)O[C@@H]2CCNC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
HTR6 P50406 4/20 0.47
CYP1A2 P05177 1/20 0.47
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL3587507 1.00 CYP2D6 (0.52) CYP2D6HTR6CYP1A2HTR2CHTR2B
SCHEMBL3639846 1.00 CYP2D6 (0.52) CYP2D6HTR6CYP1A2HTR2CHTR2B
Hydrochloric Acid SCHEMBL7462759 0.98 CYP2D6 (0.51) CYP2D6HTR6CYP1A2HTR2CHTR2B
SCHEMBL28159845 0.91 CYP2D6 (0.50) CYP2D6HTR6CYP1A2CYP3A4CYP2C19
SCHEMBL7358682 0.90 CYP2D6 (0.58) CYP2D6HTR6CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL20571470 0.90 CYP2D6 (0.49) CYP2D6HTR6CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL15904173 0.89 CYP2D6 (0.57) CYP2D6HTR6CYP1A2CYP3A4CYP2C19
Tert-Butyl Formate SCHEMBL28126240 0.88 CYP2D6 (0.43) CYP2D6HTR6CYP1A2HTR2CHTR2B
Tert-Butyl Formate SCHEMBL28126239 0.88 CYP2D6 (0.43) CYP2D6HTR6CYP1A2HTR2CHTR2B
SCHEMBL5740872 0.87 CYP2D6 (0.54) CYP2D6HTR6CYP1A2CYP3A4CYP2C19

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-7666871-B2 3-Methyl-6-(4-{5-methyl-4-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-oxazol-2-yl}-phenyl)-pyridazine; for treatment of obesity, cognitive deficiencies, narcolepsy ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP disclosed
WO-2008029257-A2 IMPROVED METHOD FOR PREPARING 1,3-DISUBSTITUTED PYRROLIDINE COMPOUNDS MEDICHEM, S.A. (US) 2008-03-13 WO disclosed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US disclosed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO disclosed
EP-0900787-B1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORP (JP) 2002-09-11 EP disclosed
US-6005119-A Process for preparing pyrrolidine derivatives KANEKA CORPORATION (JP) 1999-12-21 US disclosed
EP-0900787-A1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORPORATION (JP) 1999-03-10 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-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses HCRTR1, HRH3, HCRTR2 CYP2D6 1278/4885HTR6 135/4885CYP1A2 1117/4885

“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.