SCHEMBL21750482

SCHEMBL21750482

COC(=O)c1ccccc1OCCN1CCC(N(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
GAA P10253 1/20 0.66
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR7 P34969 10/20 0.51
DRD2 P14416 5/20 0.51
HTR1A P08908 4/20 0.51
HTR2A P28223 4/20 0.51
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
TSHR P16473 1/20 0.46

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
SCHEMBL21769222 0.93 MEN1 (0.60) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21769224 0.93 MEN1 (0.60) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21750481 0.87 KMT2A (0.70) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL954407 0.84 MEN1 (0.90) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21750491 0.83 KMT2A (0.75) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21750480 0.83 MEN1 (0.93) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21750487 0.81 HRH2 (0.51) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21750488 0.81 HRH2 (0.51) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21750489 0.81 HRH2 (0.51) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL6044278 0.81 MEN1 (0.72) KMT2AMEN1GAAALDH1A1KDM4E

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
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
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
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 KMT2A 4291/4885MEN1 1178/4885GAA 3887/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 KMT2A 4291/4885MEN1 1178/4885GAA 3887/4885

“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.