SCHEMBL5113390

SCHEMBL5113390

CN1CCN(C(=O)CC(O)CN)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
DPP4 P27487 1/20 0.41
HTR1A P08908 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNA1B Q00975 2/20 0.37
CACNB1 Q02641 2/20 0.37
CACNA1C Q13936 2/20 0.37
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4194101 0.91 HTR1A (0.40) GABRR1CYP1A2TDP1LMNADPP4
SCHEMBL4184870 0.82 DPP4 (0.40) CYP1A2TDP1DPP4HTR1APOLB
SCHEMBL4184867 0.81 HTR1A (0.40) CYP1A2TDP1DPP4HTR1APOLB
SCHEMBL4194097 0.80 DPP4 (0.38) CYP1A2TDP1DPP4HTR1APOLB
SCHEMBL12583610 0.79 HTR1A (0.47) CYP1A2TDP1HTR1APOLBNPSR1
SCHEMBL12583677 0.79 HTR1A (0.47) CYP1A2TDP1HTR1APOLBNPSR1
SCHEMBL13383340 0.79 HTR1A (0.47) CYP1A2TDP1HTR1APOLBNPSR1
SCHEMBL4186785 0.78 L3MBTL1 (0.48) GABRR1LMNAPOLBL3MBTL1KMT2A
SCHEMBL5113383 0.78 CYP1A2 (0.42) CYP1A2TDP1DPP4HTR1APOLB
SCHEMBL16654196 0.77 HTR1A (0.46) CYP1A2TDP1DPP4HTR1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 US disclosed
CN-1905869-A Indolinone based protein kinase inhibitors SCRIPPS RESEARCH INST (US) 2007-01-31 CN disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 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 (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-20060287381-A1 Enhanced indolinone based protein kinase inhibitors PHKG1, PHKG2, PRKCH GABRR1 1997/4885CYP1A2 3080/4885TDP1 1025/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 GABRR1 2559/4885CYP1A2 3918/4885TDP1 651/4885

“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.