SCHEMBL21769504

SCHEMBL21769504

CN(C)CCCOc1ccncc1C(=O)N1CCN(C2c3ccccc3-c3ncccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
GAA P10253 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ATR Q13535 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1G O43497 1/20 0.35

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
SCHEMBL21769485 0.96 FNTA (0.41) RBP4FNTAFNTBCYP1A2CYP3A4
SCHEMBL21769508 0.93 FNTA (0.37) RBP4FNTAFNTBCYP1A2CYP3A4
SCHEMBL21769409 0.91 KDM4E (0.40) FNTAFNTBCYP2C9CYP2C19KDM4E
SCHEMBL21769505 0.91 CYP1A2 (0.39) RBP4CYP1A2CYP3A4GAACYP2D6
SCHEMBL21769506 0.91 RBP4 (0.41) RBP4CYP1A2CYP3A4GAACYP2D6
SCHEMBL21769507 0.90 RBP4 (0.37) RBP4FNTAFNTBCYP1A2CYP3A4
SCHEMBL21769491 0.89 FNTA (0.41) RBP4FNTAFNTBCYP1A2CYP3A4
SCHEMBL21769528 0.87 ALDH1A1 (0.47) FNTAFNTBCYP1A2CYP3A4GAA
SCHEMBL21769246 0.87 FNTA (0.43) FNTAFNTBCYP2C9CYP2C19KDM4E
SCHEMBL21769489 0.86 RBP4 (0.41) RBP4CYP1A2CYP3A4GAACYP2D6

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 RBP4 1263/4885FNTA 3527/4885FNTB 3926/4885

“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.