Sugi Predict

Sugi Predict / Compounds / SCHEMBL462869

SCHEMBL462869

SCHEMBL462869

CC(C)(C)OC(=O)N1CCN(c2nc3cc(F)c(C(F)(F)F)cc3nc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GBA1 P04062 2/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP3A5 P20815 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OGFRL1 Q5TC84 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ALK Q9UM73 2/20 0.39
▸ KIT P10721 1/20 0.39
▸ PGK1 P00558 1/20 0.38

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
SCHEMBL405668 0.91 TLR9 (0.45) GPR119MEN1KMT2ATLR9POLB
SCHEMBL440200 0.88 PGK1 (0.43) GPR119MEN1KMT2ATLR9POLB
SCHEMBL405335 0.87 HTT (0.44) GPR119MEN1KMT2ATLR9POLB
SCHEMBL463618 0.86 KCNH2 (0.44) GPR119TLR9POLBHTTGBA1
SCHEMBL463633 0.85 KIT (0.41) GPR119TLR9HTTGBA1PDK2
SCHEMBL463516 0.85 KIT (0.41) GPR119TLR9HTTGBA1PDK2
SCHEMBL31142819 0.83 TLR9 (0.46) MEN1KMT2ATLR9POLBGBA1
SCHEMBL440733 0.83 GPR119 (0.49) GPR119MEN1KMT2ATLR9POLB
SCHEMBL440019 0.83 GPR119 (0.49) GPR119MEN1KMT2ATLR9POLB
SCHEMBL12224358 0.80 CYP3A4 (0.44) GPR119MEN1KMT2ATLR9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GPR119 198/4885MEN1 667/4885KMT2A 751/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GPR119 198/4885MEN1 667/4885KMT2A 751/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GPR119 198/4885MEN1 667/4885KMT2A 751/4885

“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.