SCHEMBL1780677

SCHEMBL1780677

O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
HPGD P15428 3/20 0.47
KCNH2 Q12809 5/20 0.46
SCN7A Q01118 3/20 0.46
SCN9A Q15858 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CACNA1H O95180 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2C P28335 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL938535 0.86 HCRTR1 (0.50) KCNH2RXFP1HSP90AA1SIGMAR1
Hydrochloric Acid SCHEMBL224268 0.84 HCRTR1 (0.49) HPGDKCNH2RXFP1HSP90AA1SIGMAR1
SCHEMBL8575156 0.83 EPHX2 (0.52) HPGDKCNH2SCN7ASCN9ARXFP1
SCHEMBL29943572 0.81 RXFP1 (0.60) RXFP1SIGMAR1
SCHEMBL25305 0.81 RXFP1 (0.60) RXFP1SIGMAR1
SCHEMBL3758836 0.81 CES2 (0.53) CES2HPGDSCN9AMEN1TSHR
Hydrochloric Acid SCHEMBL25425 0.79 RXFP1 (0.59) RXFP1SIGMAR1
SCHEMBL5373079 0.77 HPGD (0.71) HPGDKCNH2MEN1TSHRKMT2A
SCHEMBL937498 0.77 GPR183 (0.50) RXFP1HSP90AA1SIGMAR1
SCHEMBL30691929 0.77 GPR183 (0.50) RXFP1HSP90AA1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 EP disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS CES2 1269/4885HPGD 1388/4885KCNH2 1389/4885

“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.