SCHEMBL18844896

SCHEMBL18844896

O=C(CNC1CCCCCCC1)C[C@@H]1CCC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DPP4 P27487 8/20 0.34
FAP Q12884 4/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18289454 0.79 ITGB1 (0.42) MEN1KMT2A
SCHEMBL27738350 0.78 DPP7 (0.37) DPP7ALDH1A1KDM4ELMNA
SCHEMBL1777255 0.78 DPP7 (0.37) DPP7ALDH1A1KDM4ELMNA
SCHEMBL27738376 0.76 MAN1B1 (0.35) DPP7LMNA
SCHEMBL1777640 0.76 MAN1B1 (0.35) DPP7LMNA
SCHEMBL1776966 0.73 CD274 (0.34)
SCHEMBL27738375 0.73 CD274 (0.34)
SCHEMBL18844883 0.72 DPP7 (0.41) DPP7ALDH1A1HPGDMAPTTDP1
SCHEMBL28775666 0.70 ADH1B (0.40)
SCHEMBL1775537 0.70 ADH1B (0.40)

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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 DPP7 856/4885ALDH1A1 3851/4885HPGD 3217/4885

“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.