SCHEMBL21769486

SCHEMBL21769486

CN(C)CCOc1ccc(Cl)cc1C(=O)N1CCN(C2c3ccccc3-c3cnccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL21769235 0.92 NPSR1 (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21769247 0.91 TSHR (0.42) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21769488 0.91 CYP1A2 (0.39) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21769505 0.86 CYP1A2 (0.39) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21769410 0.86 TSHR (0.41) KDM4ECYP1A2CYP2C9CYP2C19GAA
SCHEMBL21769497 0.86 CCNK (0.43) CYP1A2CYP2C9CYP2C19FNTAFNTB
SCHEMBL21769489 0.85 RBP4 (0.41) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21769252 0.85 TSHR (0.42) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21769487 0.83 CCNK (0.40) CYP1A2CYP2C9CYP2C19GAA
SCHEMBL21440788 0.82 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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 1721/4885CYP1A2 4271/4885

“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.