SCHEMBL5369233

SCHEMBL5369233

COCC1CN(C(C)=O)CCO1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 15/20 0.65
SMN1; SMN2 Q16637 1/20 0.40
EPHA2 P29317 2/20 0.40
KDR P35968 2/20 0.40
PIK3CD O00329 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
SCHEMBL26784458 1.00 PDK1 (0.65) PDK1SMN1; SMN2EPHA2KDRPIK3CD
SCHEMBL23089305 0.87 PDK1 (0.65) PDK1PIK3CD
SCHEMBL5369230 0.85 PDK1 (0.63) PDK1PIK3CD
SCHEMBL13204891 0.84 PDK1 (0.47) PDK1SMN1; SMN2EPHA2KDR
SCHEMBL16750119 0.83 PDK1 (0.60) PDK1EPHA2KDRPIK3CD
SCHEMBL31224063 0.81 PDK1 (0.58) PDK1PIK3CD
SCHEMBL8425994 0.81 PDK1 (0.48) PDK1SMN1; SMN2EPHA2KDR
SCHEMBL11949265 0.81 PDK1 (0.59) PDK1SMN1; SMN2PIK3CD
SCHEMBL13193522 0.80 PDK1 (0.57) PDK1SMN1; SMN2EPHA2
SCHEMBL22732715 0.79 PDK1 (0.47) PDK1SMN1; SMN2EPHA2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 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 (3 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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 PDK1 4232/4885SMN1; SMN2 1149/4885EPHA2 2933/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 PDK1 1980/4885SMN1; SMN2 2542/4885EPHA2 4595/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN PDK1 690/4885SMN1; SMN2 4341/4885EPHA2 2167/4885

“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.