SCHEMBL440019

SCHEMBL440019

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(C(F)(F)F)cc3nc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
ENPP2 Q13822 1/20 0.45
TRPA1 O75762 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAP4K4 O95819 1/20 0.43
POLB P06746 1/20 0.43
GBA1 P04062 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 1/20 0.42
MC4R P32245 1/20 0.41
TLR9 Q9NR96 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 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
SCHEMBL440733 1.00 GPR119 (0.49) GPR119MEN1KMT2AMAPTENPP2
SCHEMBL10219267 0.88 ENPP2 (0.47) GPR119MEN1KMT2AMAPTENPP2
SCHEMBL405668 0.85 TLR9 (0.45) GPR119MEN1KMT2AMAP4K4POLB
SCHEMBL31143019 0.84 HTR3B (0.57) GPR119MEN1KMT2AMAPTMAP4K4
SCHEMBL405743 0.84 HTR3B (0.57) GPR119MEN1KMT2AMAPTMAP4K4
SCHEMBL31142827 0.84 SLC2A1 (0.51) MAPTMAP4K4POLBGBA1SMN1; SMN2
SCHEMBL31142819 0.83 TLR9 (0.46) MEN1KMT2AMAPTMAP4K4POLB
SCHEMBL12225041 0.83 MAP4K4 (0.43) MEN1KMT2AMAPTMAP4K4POLB
SCHEMBL462869 0.83 GPR119 (0.43) GPR119MEN1KMT2ATRPA1TRPV1
SCHEMBL12246096 0.83 MEN1 (0.42) GPR119MEN1KMT2AMAPTMAP4K4

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO 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.