SCHEMBL462854

SCHEMBL462854

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 8/20 0.43
TP53 P04637 2/20 0.42
GPR119 Q8TDV5 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HBB P68871 1/20 0.39
GBA1 P04062 1/20 0.38
TLR9 Q9NR96 1/20 0.38
OPRM1 P35372 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
SCHEMBL405244 0.92 USP2 (0.47) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL462613 0.88 USP2 (0.44) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL463630 0.84 POLB (0.57) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL462741 0.84 POLB (0.50) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL463615 0.84 KDM4E (0.48) ALDH1A1HPGDPOLBMAPTTP53
SCHEMBL436985 0.82 MAPT (0.50) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL404204 0.81 MAPT (0.55) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL405395 0.81 TP53 (0.65) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL13334789 0.80 POLB (0.46) USP2ALDH1A1TSHRHPGDPOLB
SCHEMBL12246149 0.79 POLB (0.44) USP2ALDH1A1TSHRPOLBMAPT

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 1909/4885TSHR 82/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 USP2 2853/4885ALDH1A1 1909/4885TSHR 82/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 USP2 2853/4885ALDH1A1 1909/4885TSHR 82/4885

“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.