SCHEMBL1170577

SCHEMBL1170577

C[C@H]1CC(CN)(Nc2cccc(F)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HTR2C P28335 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1170399 1.00 PDK1 (0.41) PDK1PDK2PDK3PDK4JAK2
SCHEMBL2434192 0.92 PDK1 (0.42) PDK1PDK2PDK3PDK4JAK2
SCHEMBL7980800 0.88 PDK1 (0.43) PDK1PDK2PDK3PDK4JAK2
SCHEMBL4314854 0.86 ALDH1A1 (0.39) CYP2C9NPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL16494609 0.86 ALDH1A1 (0.39) CYP2C9NPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL12328090 0.84 PDK1 (0.41) PDK1PDK2PDK3PDK4JAK2
SCHEMBL1170330 0.84 JAK2 (0.42) PDK1PDK2PDK3PDK4JAK2
SCHEMBL10262476 0.84 JAK2 (0.42) PDK1PDK2PDK3PDK4JAK2
SCHEMBL12328094 0.84 PDK1 (0.41) PDK1PDK2PDK3PDK4JAK2
SCHEMBL755045 0.84 JAK2 (0.42) PDK1PDK2PDK3PDK4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300484-B1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2011-12-14 EP disclosed
EP-2300484-A1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Pfizer Inc. (US) 2011-03-30 EP 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

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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT PDK1 55/4885PDK2 35/4885PDK3 56/4885

“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.