SCHEMBL21769540

SCHEMBL21769540

O=C(c1cc(F)ccc1OCCN1CCOCC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HTR2A P28223 2/20 0.43
KCNH2 Q12809 1/20 0.43
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
HTR2C P28335 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
SCHEMBL21769480 0.96 USP2 (0.52) KDM4EPOLBL3MBTL1USP2NPSR1
SCHEMBL21769478 0.93 KDM4E (0.51) KDM4EPOLBL3MBTL1USP2NPSR1
SCHEMBL21750490 0.91 KDM4E (0.56) KDM4EPOLBL3MBTL1USP2NPSR1
SCHEMBL21769242 0.89 USP2 (0.52) KDM4EPOLBL3MBTL1USP2NPSR1
SCHEMBL21769539 0.87 KDM4E (0.52) KDM4EPOLBNPSR1MAPTMAPK1
SCHEMBL21769399 0.86 USP2 (0.57) KDM4EPOLBL3MBTL1USP2NPSR1
SCHEMBL21769472 0.86 NPSR1 (0.48) KDM4EPOLBUSP2NPSR1MAPT
SCHEMBL21769243 0.83 NPSR1 (0.49) KDM4EPOLBUSP2NPSR1MAPT
SCHEMBL21769465 0.82 KDM4E (0.49) KDM4EPOLBL3MBTL1USP2NPSR1
SCHEMBL21769231 0.80 DRD3 (0.54) KDM4EPOLBUSP2NPSR1

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 2907/4885L3MBTL1 590/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885POLB 2907/4885L3MBTL1 590/4885

“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.