SCHEMBL1170610

SCHEMBL1170610

C[C@H]1C[C@](C#N)(Nc2cccc(F)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTR2C P28335 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PREP P48147 2/20 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
SCHEMBL1170330 1.00 JAK2 (0.42) JAK2JAK1PDK1PDK2PDK3
SCHEMBL10262476 1.00 JAK2 (0.42) JAK2JAK1PDK1PDK2PDK3
SCHEMBL755045 1.00 JAK2 (0.42) JAK2JAK1PDK1PDK2PDK3
SCHEMBL7980800 0.86 PDK1 (0.43) JAK2JAK1PDK1PDK2PDK3
SCHEMBL10293063 0.86 CYP2D6 (0.37) JAK2JAK1SMN1; SMN2ALDH1A1POLB
SCHEMBL754867 0.85 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL5332171 0.85 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL2553195 0.85 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL4327063 0.85 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL2434192 0.85 PDK1 (0.42) JAK2JAK1PDK1PDK2PDK3

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-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-2300484-B1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2011-12-14 EP disclosed
WO-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed
WO-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 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 (4 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 JAK2 4818/4885JAK1 4835/4885PDK1 1880/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B JAK2 4748/4885JAK1 4633/4885PDK1 3030/4885
US-20130150376-A1 Novel Sultam Compounds SULT2A1, SULT1A1, SULT1E1 JAK2 1550/4885JAK1 2006/4885PDK1 566/4885
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT JAK2 1676/4885JAK1 4158/4885PDK1 55/4885

“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.