SCHEMBL21769464

SCHEMBL21769464

CN1CCN(CCOc2ccccc2C(=O)N2CCN(C3c4ccccc4-c4ncccc43)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.48
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KCNA5 P22460 2/20 0.42
DRD2 P14416 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 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
SCHEMBL21769527 0.96 ALDH1A1 (0.46) DRD3KDM4EALDH1A1POLBGAA
SCHEMBL21769231 0.91 DRD3 (0.54) DRD3KDM4EALDH1A1POLBKCNA5
SCHEMBL21769465 0.90 KDM4E (0.49) DRD3KDM4EALDH1A1POLB
SCHEMBL21769466 0.88 KDM4E (0.50) DRD3KDM4EALDH1A1POLBKMT2A
SCHEMBL21769525 0.86 USP2 (0.50) KDM4EALDH1A1POLB
SCHEMBL21769401 0.86 ALDH1A1 (0.53) DRD3KDM4EALDH1A1POLBGAA
SCHEMBL21769246 0.86 FNTA (0.43) KDM4EALDH1A1
SCHEMBL21769409 0.85 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL21769463 0.84 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL21769529 0.83 NPSR1 (0.40) KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 DRD3 3732/4885KDM4E 3638/4885ALDH1A1 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.