SCHEMBL1805588

SCHEMBL1805588

CN1C[C@@H]2CNC(=O)c3cc(-c4ccc(F)c(C=O)c4)ccc3[C@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
DAPK3 O43293 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIA2 P42262 1/20 0.31

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
SCHEMBL2599078 0.88 PIM1 (0.36) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL2599076 0.88 PIM1 (0.36) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1805029 0.88 PIM1 (0.36) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL860932 0.88 PIM1 (0.36) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1804241 0.86 PIM1 (0.47) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1804240 0.86 PIM1 (0.47) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1804237 0.86 PIM1 (0.47) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1804970 0.85 CLK4 (0.33) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1804971 0.85 CLK4 (0.33) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1804967 0.85 CLK4 (0.33) DAPK3NTRK1PIM1FLT3GSK3B

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
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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 (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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C ERN1 4806/4885DAPK3 1203/4885NTRK1 322/4885

“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.