SCHEMBL462741

SCHEMBL462741

CC(C)(C)OC(=O)N1CCN(c2nc3cc(C(F)(F)F)ccc3n3nnnc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GPR119 Q8TDV5 2/20 0.45
MAPT P10636 8/20 0.45
KDM4E B2RXH2 5/20 0.45
USP2 O75604 3/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
HBB P68871 1/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
ENPP2 Q13822 1/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRA2A P08913 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
SCHEMBL463630 0.93 POLB (0.57) POLBGPR119MAPTKDM4EUSP2
SCHEMBL404204 0.88 MAPT (0.55) POLBMAPTKDM4EUSP2MAPK1
SCHEMBL405244 0.85 USP2 (0.47) POLBGPR119MAPTKDM4EUSP2
SCHEMBL462854 0.84 USP2 (0.43) POLBGPR119MAPTKDM4EUSP2
SCHEMBL12246149 0.83 POLB (0.44) POLBGPR119MAPTKDM4EUSP2
SCHEMBL442384 0.82 KDM4E (0.59) POLBMAPTKDM4EUSP2MAPK1
SCHEMBL405395 0.82 TP53 (0.65) POLBMAPTKDM4EUSP2MAPK1
SCHEMBL2466257 0.82 POLB (0.41) POLBGPR119MAPTKDM4EUSP2
SCHEMBL463609 0.81 HTR3E (0.51) GPR119MAPTKDM4EMAPK1HSD17B10
SCHEMBL462613 0.81 USP2 (0.44) POLBGPR119MAPTKDM4EUSP2

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 POLB 4705/4885GPR119 198/4885MAPT 2336/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885GPR119 198/4885MAPT 2336/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885GPR119 198/4885MAPT 2336/4885

“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.