SCHEMBL4184867

SCHEMBL4184867

CN1CCN(C(=O)C[C@H](O)C[C@@H](O)CC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
DPP4 P27487 2/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNA1B Q00975 2/20 0.35
CACNB1 Q02641 2/20 0.35
CACNA1C Q13936 2/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33

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 0.87 HTR1A (0.40) HTR1ADPP4CYP1A2TDP1POLB
SCHEMBL4194097 0.85 DPP4 (0.38) HTR1ADPP4CYP1A2TDP1POLB
SCHEMBL4193689 0.84 ATM (0.41) CYP1A2TDP1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL4184870 0.84 DPP4 (0.40) HTR1ADPP4CYP1A2TDP1POLB
SCHEMBL5113390 0.81 GABRR1 (0.42) HTR1ADPP4CYP1A2TDP1POLB
SCHEMBL4198380 0.80 L3MBTL1 (0.44) POLBL3MBTL1KMT2ASMN1; SMN2
SCHEMBL5113383 0.77 CYP1A2 (0.42) HTR1ADPP4CYP1A2TDP1POLB
SCHEMBL12583610 0.74 HTR1A (0.47) HTR1ACYP1A2TDP1POLBNPSR1
SCHEMBL12583677 0.74 HTR1A (0.47) HTR1ACYP1A2TDP1POLBNPSR1
SCHEMBL13383340 0.74 HTR1A (0.47) HTR1ACYP1A2TDP1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686987-A4 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-02-25 EP disclosed
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 US disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 US disclosed
EP-1686987-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-09 EP disclosed
WO-2005053614-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 WO 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 HTR1A 716/4885DPP4 2943/4885CYP1A2 3080/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 HTR1A 1266/4885DPP4 3253/4885CYP1A2 3918/4885

“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.