SCHEMBL21750490

SCHEMBL21750490

O=C(c1ccccc1OCCN1CCOCC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
DRD3 P35462 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ABCB1 P08183 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
SCHEMBL21769399 0.95 USP2 (0.57) KDM4ENPSR1POLBUSP2L3MBTL1
SCHEMBL21769465 0.91 KDM4E (0.49) KDM4ENPSR1POLBUSP2L3MBTL1
SCHEMBL21769478 0.91 KDM4E (0.51) KDM4ENPSR1POLBUSP2L3MBTL1
SCHEMBL21769540 0.91 KDM4E (0.51) KDM4ENPSR1POLBUSP2L3MBTL1
SCHEMBL21769231 0.89 DRD3 (0.54) KDM4ENPSR1POLBUSP2DRD3
SCHEMBL21750483 0.87 KDM4E (0.57) KDM4EDRD3ALDH1A1
SCHEMBL21769525 0.86 USP2 (0.50) KDM4ENPSR1POLBUSP2L3MBTL1
SCHEMBL21769242 0.86 USP2 (0.52) KDM4ENPSR1POLBUSP2L3MBTL1
SCHEMBL21769480 0.86 USP2 (0.52) KDM4ENPSR1POLBUSP2L3MBTL1
SCHEMBL21769234 0.85 KDM4E (0.57) KDM4EPOLBDRD3ALDH1A1

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 KDM4E 3638/4885NPSR1 615/4885POLB 2907/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885NPSR1 615/4885POLB 2907/4885

“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.