SCHEMBL21769241

SCHEMBL21769241

C[C@@H]1CN(CCOc2cc(F)ccc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)C[C@H](C)O1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
POLB P06746 2/20 0.52
HTT P42858 2/20 0.52
BLM P54132 1/20 0.52
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD3 P35462 1/20 0.42

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
SCHEMBL21769539 0.93 KDM4E (0.52) KDM4EPOLBHTTBLMALDH1A1
SCHEMBL21769234 0.91 KDM4E (0.57) KDM4EPOLBHTTBLMALDH1A1
SCHEMBL21769243 0.88 NPSR1 (0.49) KDM4EPOLBHTTALDH1A1MAPT
SCHEMBL21769478 0.87 KDM4E (0.51) KDM4EPOLBMAPTMAPK1NPSR1
SCHEMBL21769534 0.83 NPSR1 (0.48) KDM4EPOLBHTTALDH1A1MAPT
SCHEMBL21769466 0.83 KDM4E (0.50) KDM4EPOLBHTTBLMALDH1A1
SCHEMBL21769242 0.83 USP2 (0.52) KDM4EPOLBALDH1A1MAPTMAPK1
SCHEMBL21769473 0.82 NPSR1 (0.48) KDM4EPOLBHTTALDH1A1MAPT
SCHEMBL21769244 0.81 NPSR1 (0.48) KDM4EHTTMAPTMAPK1NPSR1
SCHEMBL21769477 0.81 MAPT (0.47) KDM4EHTTALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885POLB 2907/4885HTT 1198/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885POLB 2907/4885HTT 1198/4885

“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.