SCHEMBL406215

SCHEMBL406215

CB(O)N1CCN(c2nc3cc(F)c(Cl)cc3n3nnnc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
TSHR P16473 3/20 0.46
USP2 O75604 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPK1 P28482 3/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
HBB P68871 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL405649 0.88 MAPT (0.51) MAPTTSHRUSP2ALDH1A1HPGD
SCHEMBL405238 0.86 HRH4 (0.57) MAPTTSHRUSP2ALDH1A1HPGD
SCHEMBL13334789 0.86 POLB (0.46) MAPTTSHRUSP2ALDH1A1HPGD
SCHEMBL462776 0.85 TSHR (0.51) MAPTTSHRUSP2ALDH1A1HPGD
SCHEMBL406418 0.81 HRH4 (0.57) MAPTTSHRUSP2ALDH1A1HPGD
SCHEMBL406671 0.81 TSHR (0.47) MAPTTSHRUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL439792 0.81 TSHR (0.47) MAPTTSHRUSP2ALDH1A1HPGD
SCHEMBL406219 0.79 HTR3E (0.51) HRH4HRH3CYP11B1CYP11B2
SCHEMBL462613 0.79 USP2 (0.44) MAPTTSHRUSP2ALDH1A1HPGD
SCHEMBL406744 0.77 TSHR (0.47) MAPTTSHRUSP2ALDH1A1HPGD

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 MAPT 2336/4885TSHR 82/4885USP2 2853/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885TSHR 82/4885USP2 2853/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885TSHR 82/4885USP2 2853/4885

“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.