SCHEMBL21769409

SCHEMBL21769409

CN(C)CCCOc1ccccc1C(=O)N1CCN(C2c3ccccc3-c3ncccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21769246 0.95 FNTA (0.43) KDM4EALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL21769528 0.92 ALDH1A1 (0.47) KDM4EALDH1A1CYP2C9CYP2C19FNTA
SCHEMBL21769408 0.92 MAPT (0.41) KDM4EFNTAFNTBMAPK1NPSR1
SCHEMBL21769504 0.91 RBP4 (0.37) KDM4ECYP2C9CYP2C19FNTAFNTB
SCHEMBL21769508 0.91 FNTA (0.37) KDM4ECYP2C9CYP2C19FNTAFNTB
SCHEMBL21769529 0.91 NPSR1 (0.40) KDM4EALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL21769398 0.91 KDM4E (0.46) KDM4EALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21769411 0.89 FNTA (0.41) KDM4EALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL21769463 0.89 KDM4E (0.44) KDM4EALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL21769462 0.87 ALDH1A1 (0.48) KDM4EALDH1A1CYP2C9CYP2C19FNTA

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 3638/4885ALDH1A1 1721/4885CYP2C9 2635/4885

“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.