SCHEMBL21769474

SCHEMBL21769474

CN(C)CCOc1ccc(Cl)c(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSP90B1 P14625 1/20 0.43
TRAP1 Q12931 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNA5 P22460 1/20 0.41
PDK2 Q15119 1/20 0.41
HTT P42858 1/20 0.41
CACNA1G O43497 1/20 0.41

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
SCHEMBL21769498 0.92 HSD17B10 (0.40) ALDH1A1KDM4EHSP90B1TRAP1MAPT
SCHEMBL21769483 0.89 TRAP1 (0.43) ALDH1A1KDM4EHSP90B1TRAP1MAPT
SCHEMBL21769536 0.84 NPC1 (0.52) ALDH1A1MAPTL3MBTL1KCNA5HTT
SCHEMBL21769236 0.84 HSP90B1 (0.44) ALDH1A1HSP90B1TRAP1MAPTL3MBTL1
SCHEMBL21769235 0.84 NPSR1 (0.47) ALDH1A1KDM4EMAPTL3MBTL1NPSR1
SCHEMBL21769535 0.83 MGLL (0.48) HSP90B1TRAP1
SCHEMBL21769476 0.83 MAPT (0.44) KDM4EMAPTL3MBTL1NPSR1
SCHEMBL21769237 0.83 CCNK (0.44) ALDH1A1KDM4EMAPTL3MBTL1NPSR1
SCHEMBL21440788 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ENPSR1HTTCACNA1G
SCHEMBL21769473 0.81 NPSR1 (0.48) ALDH1A1KDM4EMAPTNPSR1HTT

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 ALDH1A1 1721/4885KDM4E 3638/4885HSP90B1 437/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885KDM4E 3638/4885HSP90B1 437/4885

“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.