SCHEMBL20109147

SCHEMBL20109147

C=C(CC)P1(=O)N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.39
ANPEP P15144 4/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRB2 P47870 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 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
SCHEMBL20109265 0.84 DPP4 (0.40) DPP4ANPEPMEN1KMT2ATDP1
SCHEMBL20109222 0.83 GABRA1 (0.34) DPP4ANPEPMEN1KMT2ATDP1
SCHEMBL20109249 0.83 GABRA1 (0.34) DPP4ANPEPMEN1KMT2ATDP1
SCHEMBL20109349 0.82 NLRP3 (0.44) DPP4ANPEPMEN1KMT2ATDP1
SCHEMBL14221891 0.66 GABRA1 (0.46) DPP4ANPEPMEN1KMT2ATDP1
SCHEMBL18736500 0.62 GABRA1 (0.38) DPP4ANPEPMEN1KMT2ATDP1
SCHEMBL29913292 0.61 ANPEP (0.45) DPP4ANPEPMEN1KMT2ANR1H2
SCHEMBL13258747 0.61 GABRA1 (0.40) DPP4ANPEPMEN1KMT2ATDP1
SCHEMBL16385896 0.61 HTR1A (0.39) DPP4MEN1KMT2ATDP1NR1H2
SCHEMBL17310016 0.60 GABRA1 (0.43) DPP4ANPEPMEN1KMT2ATDP1

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-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 DPP4 1836/4885ANPEP 294/4885MEN1 469/4885

“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.