SCHEMBL18239188

SCHEMBL18239188

CCCCOCNC(=N)NCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
TSHR P16473 3/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
ACHE P22303 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
ANPEP P15144 3/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 2/20 0.32
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL18239179 0.89 MAPT (0.38) MAPTHSD17B10MMP9MMP8MMP14
SCHEMBL18239181 0.83 TSHR (0.42) MAPTHSD17B10TSHRGAASMN1; SMN2
SCHEMBL18239187 0.78 MEN1 (0.38) CNR1HSD17B10HPGDANPEPRNPEP
SCHEMBL17874821 0.75 MEN1 (0.36) MAPTHSD17B10TSHR
SCHEMBL4094502 0.75 TSHR (0.48) MAPTHSD17B10HPGDTSHRGAA
SCHEMBL22507534 0.73 EPHX1 (0.39) CNR1MMP8EPHX1ACHECYP1A2
SCHEMBL25978249 0.73 CNR1 (0.52) CNR1MAPTHSD17B10HPGDTSHR
SCHEMBL16562942 0.73 ANPEP (0.36) CNR1MAPTHSD17B10HPGDMMP8
SCHEMBL24533629 0.73 MEN1 (0.35) HPGDGAARAB9ASMN1; SMN2ANPEP
SCHEMBL17874823 0.73 CYP2D6 (0.38) CNR1HSD17B10HPGDMMP8EPHX1

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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 CNR1 4069/4885MAPT 3893/4885HSD17B10 3195/4885

“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.