SCHEMBL21769236

SCHEMBL21769236

CN(C)CCCOc1ccc(F)c(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 2/20 0.44
TRAP1 Q12931 2/20 0.44
PDK2 Q15119 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1G O43497 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL21769483 0.95 TRAP1 (0.43) HSP90B1TRAP1PDK2MAPTMAPK1
SCHEMBL21769253 0.92 HSP90B1 (0.40) HSP90B1TRAP1PDK2ALDH1A1FAAH
SCHEMBL21769244 0.85 NPSR1 (0.48) MAPTMAPK1NPSR1HTTCACNA1G
SCHEMBL21769538 0.84 CACNA1B (0.53) ALDH1A1
SCHEMBL21769474 0.84 ALDH1A1 (0.43) HSP90B1TRAP1PDK2MAPTNPSR1
SCHEMBL21769537 0.84 MGLL (0.48) HSP90B1TRAP1ALDH1A1FAAHMGLL
SCHEMBL21769398 0.82 KDM4E (0.46) NPSR1ALDH1A1HTTCACNA1G
SCHEMBL21769232 0.81 THRA (0.44) HSP90B1TRAP1MAPTMAPK1NPSR1
SCHEMBL21769473 0.80 NPSR1 (0.48) MAPTMAPK1NPSR1ALDH1A1HTT
SCHEMBL21769536 0.79 NPC1 (0.52) MAPTALDH1A1HTTL3MBTL1

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 HSP90B1 437/4885TRAP1 200/4885PDK2 1327/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 HSP90B1 437/4885TRAP1 200/4885PDK2 1327/4885

“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.