SCHEMBL19732602

SCHEMBL19732602

CCCOCCNC(=O)[C@@H](N)CCNCCCCNCCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.54
▸ GNAI3 P08754 1/20 0.53
▸ GNAO1 P09471 1/20 0.53
▸ GNAI1 P63096 1/20 0.53
▸ RRM1 P23921 1/20 0.52
▸ TLR2 O60603 6/20 0.43
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNB4 P30926 3/20 0.39
▸ CHRNA3 P32297 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ S1PR2 O95136 2/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ PAOX Q6QHF9 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ GRIN1 Q05586 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
SCHEMBL20364108 1.00 DPP7 (0.54) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL30094858 0.85 GNAI3 (0.65) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL14205322 0.85 GNAI3 (0.65) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL20365947 0.84 MAOA (0.45) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL17885950 0.84 MAOA (0.45) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL20364092 0.81 TLR2 (0.52) TLR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17167980 0.80 DPP7 (0.51) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL17921742 0.80 GNAI3 (0.49) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL14048412 0.79 DPP7 (0.73) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL24379743 0.79 GNAI3 (0.64) DPP7GNAI3GNAO1GNAI1RRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — 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 (2 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM DPP7 2131/4885GNAI3 2827/4885GNAO1 4250/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM DPP7 2131/4885GNAI3 2827/4885GNAO1 4250/4885

“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.

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