SCHEMBL405668

SCHEMBL405668

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
GBA1 P04062 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP3A5 P20815 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
MAP4K4 O95819 1/20 0.43
KIT P10721 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
GRIA1 P42261 1/20 0.41
PGK1 P00558 1/20 0.41

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
SCHEMBL440200 0.94 PGK1 (0.43) TLR9POLBHTTGPR119GBA1
SCHEMBL405335 0.93 HTT (0.44) TLR9POLBHTTGPR119GBA1
SCHEMBL463618 0.92 KCNH2 (0.44) TLR9POLBHTTGPR119GBA1
SCHEMBL462869 0.91 GPR119 (0.43) TLR9POLBHTTGPR119GBA1
SCHEMBL31142819 0.89 TLR9 (0.46) TLR9POLBGBA1OPRM1OPRD1
SCHEMBL12224358 0.85 CYP3A4 (0.44) TLR9POLBGPR119GBA1CYP3A4
SCHEMBL31143019 0.85 HTR3B (0.57) POLBGPR119GBA1OPRM1OPRD1
SCHEMBL405743 0.85 HTR3B (0.57) POLBGPR119GBA1OPRM1OPRD1
SCHEMBL440733 0.85 GPR119 (0.49) TLR9POLBGPR119GBA1OPRM1
SCHEMBL440019 0.85 GPR119 (0.49) TLR9POLBGPR119GBA1OPRM1

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 6 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-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-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 TLR9 410/4885POLB 4705/4885HTT 125/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TLR9 410/4885POLB 4705/4885HTT 125/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TLR9 410/4885POLB 4705/4885HTT 125/4885

“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.