SCHEMBL21769475

SCHEMBL21769475

CN(C)CCOc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 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
SCHEMBL21769487 0.93 CCNK (0.40) THRATHRB
SCHEMBL21769237 0.93 CCNK (0.44) MAPTNPSR1L3MBTL1HPGDKDM4E
SCHEMBL21769481 0.89 THRA (0.42) THRATHRBMAPTNPSR1KDM4E
SCHEMBL21769235 0.86 NPSR1 (0.47) MAPTNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL21769497 0.85 CCNK (0.43)
SCHEMBL21769536 0.84 NPC1 (0.52) MAPTL3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL21769232 0.84 THRA (0.44) THRATHRBMAPTNPSR1KDM4E
SCHEMBL21769535 0.83 MGLL (0.48)
SCHEMBL21769476 0.83 MAPT (0.44) MAPTNPSR1L3MBTL1KDM4E
SCHEMBL21440788 0.82 ALDH1A1 (0.48) NPSR1USP2KDM4EALDH1A1SMN1; SMN2

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 THRA 893/4885THRB 972/4885MAPT 1188/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 THRA 893/4885THRB 972/4885MAPT 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.