SCHEMBL21769248

SCHEMBL21769248

CN(C)CCOc1ccccc1C(=O)N1CCN(C2c3ccccc3-c3cccnc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL21769411 0.95 FNTA (0.41) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21769490 0.91 RBP4 (0.38) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21440788 0.91 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21769246 0.89 FNTA (0.43) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21769507 0.87 RBP4 (0.37) KDM4ESMN1; SMN2CYP2C9CYP2C19FNTA
SCHEMBL21769247 0.86 TSHR (0.42) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21769252 0.86 TSHR (0.42) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21769398 0.86 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21769409 0.85 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL21769250 0.83 FNTA (0.44) ALDH1A1SMN1; SMN2FNTAFNTBLMNA

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 1721/4885SMN1; SMN2 2355/4885

“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.