SCHEMBL21769481

SCHEMBL21769481

CN(C)CCOc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1F

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
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1G O43497 1/20 0.41
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21769232 0.95 THRA (0.44) THRATHRBMAPTMAPK1NPSR1
SCHEMBL21769251 0.92 FNTA (0.40) THRATHRB
SCHEMBL21769475 0.89 THRA (0.42) THRATHRBMAPTNPSR1ALDH1A1
SCHEMBL21769254 0.87 THRA (0.39) THRATHRBKDM4E
SCHEMBL21769237 0.87 CCNK (0.44) MAPTNPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21769536 0.84 NPC1 (0.52) MAPTALDH1A1SMN1; SMN2HRH3
SCHEMBL21769535 0.83 MGLL (0.48)
SCHEMBL21769473 0.83 NPSR1 (0.48) MAPTMAPK1NPSR1ALDH1A1KDM4E
SCHEMBL21440788 0.82 ALDH1A1 (0.48) NPSR1ALDH1A1KDM4ESMN1; SMN2CACNA1G
SCHEMBL21769235 0.82 NPSR1 (0.47) MAPTMAPK1NPSR1ALDH1A1KDM4E

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.