SCHEMBL21769463

SCHEMBL21769463

CCN(CC)CCOc1ccccc1C(=O)N1CCN(C2c3ccccc3-c3ncccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL21769529 0.96 NPSR1 (0.40) KDM4ELMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL21769246 0.91 FNTA (0.43) KDM4ELMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL21769233 0.91 KDM4E (0.50) KDM4ELMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL21769409 0.89 KDM4E (0.40) KDM4ELMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL21769400 0.86 NPSR1 (0.45) KDM4ELMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL21769464 0.84 DRD3 (0.48) KDM4EALDH1A1
SCHEMBL21769527 0.83 ALDH1A1 (0.46) KDM4EALDH1A1
SCHEMBL21769462 0.83 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL21769491 0.83 FNTA (0.41) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21440788 0.81 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2NPSR1CYP2C9

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 KDM4E 3638/4885LMNA 174/4885ALDH1A1 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.