SCHEMBL21750488

SCHEMBL21750488

CN(C)C1CCN(CCOc2ccccc2C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.51
HTR7 P34969 6/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
PTK2B Q14289 1/20 0.50
DRD2 P14416 4/20 0.49
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
HTR1A P08908 3/20 0.48
HTR2A P28223 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL21750487 1.00 HRH2 (0.51) HRH2HTR7ALDH1A1KMT2APTK2B
SCHEMBL21750489 1.00 HRH2 (0.51) HRH2HTR7ALDH1A1KMT2APTK2B
SCHEMBL21769222 0.89 MEN1 (0.60) HTR7ALDH1A1KMT2ADRD2DRD1
SCHEMBL21769224 0.89 MEN1 (0.60) HTR7ALDH1A1KMT2ADRD2DRD1
SCHEMBL21750486 0.82 KDM4E (0.70) HRH2ALDH1A1KMT2ADRD2DRD1
SCHEMBL21750482 0.81 KMT2A (0.66) HTR7ALDH1A1KMT2ADRD2DRD1
SCHEMBL21769226 0.80 DRD3 (0.44) HTR7ALDH1A1DRD2DRD3HTR1A
SCHEMBL21769227 0.80 DRD3 (0.44) HTR7ALDH1A1DRD2DRD3HTR1A
SCHEMBL21750484 0.77 ALDH1A1 (0.70) ALDH1A1KMT2APTK2BDRD2DRD1
SCHEMBL11365759 0.76 DRD2 (0.75) ALDH1A1KMT2APTK2BDRD2DRD1

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 HRH2 1784/4885HTR7 222/4885ALDH1A1 1721/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 HRH2 1784/4885HTR7 222/4885ALDH1A1 1721/4885

“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.