SCHEMBL21769490

SCHEMBL21769490

CN(C)CCOc1ccncc1C(=O)N1CCN(C2c3ccccc3-c3cccnc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.38
FNTA P49354 4/20 0.38
FNTB P49356 4/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
GAA P10253 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL21769507 0.96 RBP4 (0.37) RBP4FNTAFNTBKDM4ESMN1; SMN2
SCHEMBL21769248 0.91 KDM4E (0.42) FNTAFNTBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL21769488 0.91 CYP1A2 (0.39) RBP4KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21769489 0.91 RBP4 (0.41) RBP4KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21769485 0.90 FNTA (0.41) RBP4FNTAFNTBKDM4ESMN1; SMN2
SCHEMBL21769411 0.87 FNTA (0.41) FNTAFNTBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL21769506 0.86 RBP4 (0.41) RBP4KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21769505 0.86 CYP1A2 (0.39) RBP4KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21769252 0.85 TSHR (0.42) RBP4KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21769247 0.85 TSHR (0.42) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP3A4

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.