SCHEMBL20109249

SCHEMBL20109249

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
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
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
HTR2B P41595 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL20109147 0.83 DPP4 (0.39) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL20109222 0.83 GABRA1 (0.34) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL20109265 0.72 DPP4 (0.40) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL20109349 0.70 NLRP3 (0.44) SLC6A2MEN1KMT2ATDP1ANPEP
SCHEMBL14221891 0.66 GABRA1 (0.46) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL15034438 0.62 GABRA1 (0.41) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL18736500 0.62 GABRA1 (0.38) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL13258747 0.61 GABRA1 (0.40) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL18179635 0.61 SIGMAR1 (0.42) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL17310016 0.60 GABRA1 (0.43) GABRA1GABRG2GABRB3FAAHCA1

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 GABRA1 4610/4885GABRG2 4706/4885GABRB3 4793/4885

“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.