SCHEMBL462613

SCHEMBL462613

CC(C)(C)OC(=O)N1CCN(c2nc3cc(F)c(Cl)cc3n3nnnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 7/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
HBB P68871 1/20 0.40
POLB P06746 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL405244 0.92 USP2 (0.47) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL462854 0.88 USP2 (0.43) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL404204 0.82 MAPT (0.55) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL405395 0.82 TP53 (0.65) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL463630 0.81 POLB (0.57) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL406097 0.81 GRIA1 (0.48) HTTGPR119POLBNR1H2NR1H3
SCHEMBL462741 0.81 POLB (0.50) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL405238 0.81 HRH4 (0.57) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL462776 0.80 TSHR (0.51) USP2ALDH1A1HPGDTSHRMAPT
SCHEMBL440200 0.79 PGK1 (0.43) MAPTHTTMEN1KMT2AGPR119

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
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

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 USP2 2853/4885ALDH1A1 1909/4885HPGD 252/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 USP2 2853/4885ALDH1A1 1909/4885HPGD 252/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 USP2 2853/4885ALDH1A1 1909/4885HPGD 252/4885

“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.