SCHEMBL21769401

SCHEMBL21769401

CN1CCN(CCCOc2ccccc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 1/20 0.53
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL21769231 0.95 DRD3 (0.54) ALDH1A1POLBKDM4EDRD3KMT2A
SCHEMBL21769527 0.91 ALDH1A1 (0.46) ALDH1A1POLBKDM4EDRD3KCNH2
SCHEMBL21769472 0.91 NPSR1 (0.48) ALDH1A1POLBKDM4EKCNH2HRH3
SCHEMBL21769534 0.91 NPSR1 (0.48) ALDH1A1POLBKDM4EDRD3KCNH2
SCHEMBL21769399 0.89 USP2 (0.57) ALDH1A1POLBKDM4ECYP1A2CYP2D6
SCHEMBL21769464 0.86 DRD3 (0.48) ALDH1A1POLBKDM4EDRD3MEN1
SCHEMBL21769243 0.86 NPSR1 (0.49) ALDH1A1POLBKDM4EDRD3MEN1
SCHEMBL21750483 0.85 KDM4E (0.57) ALDH1A1KDM4EDRD3MEN1KMT2A
SCHEMBL21769398 0.84 KDM4E (0.46) ALDH1A1POLBKDM4ECYP1A2CYP3A4
SCHEMBL21769228 0.83 NPSR1 (0.49) ALDH1A1POLBCYP1A2CYP3A4CYP2D6

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 1721/4885POLB 2907/4885KDM4E 3638/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885POLB 2907/4885KDM4E 3638/4885

“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.