SCHEMBL21769237

SCHEMBL21769237

CN(C)CCOc1cc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL21769497 0.93 CCNK (0.43) CCNKCDK12MGLLGAA
SCHEMBL21769475 0.93 THRA (0.42) MAPTNPSR1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21769481 0.87 THRA (0.42) MAPTNPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21769487 0.85 CCNK (0.40) CCNKCDK12GAA
SCHEMBL21769536 0.84 NPC1 (0.52) MAPTL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL21769235 0.84 NPSR1 (0.47) MAPTNPSR1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21769535 0.83 MGLL (0.48) MGLL
SCHEMBL21769474 0.83 ALDH1A1 (0.43) MAPTNPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL21769476 0.83 MAPT (0.44) MAPTNPSR1L3MBTL1MGLLKDM4E
SCHEMBL21440788 0.82 ALDH1A1 (0.48) NPSR1ALDH1A1SMN1; SMN2GAAKDM4E

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 CCNK 3426/4885CDK12 726/4885MAPT 1188/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 CCNK 3426/4885CDK12 726/4885MAPT 1188/4885

“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.