SCHEMBL406445

SCHEMBL406445

Cc1cccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SSTR4 P31391 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
LCK P06239 1/20 0.32
RIPK1 Q13546 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
KAT6A Q92794 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
BRD4 O60885 1/20 0.30
HTT P42858 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18147566 0.83 SSTR4 (0.33) SSTR4GAARIPK1LMNAPOLB
SCHEMBL463521 0.82 LMNA (0.43) KAT6ALMNAPOLB
SCHEMBL25388467 0.82 RIPK1 (0.35) SSTR4GAARIPK1L3MBTL1
SCHEMBL25736551 0.81 SSTR4 (0.32) SSTR4GAA
SCHEMBL18160612 0.80 SSTR4 (0.32) SSTR4
SCHEMBL25389203 0.80 NOTUM (0.36) SSTR4GAAHTT
SCHEMBL18146553 0.79 NPSR1 (0.39) TSHRHTTL3MBTL1
SCHEMBL19499708 0.77 ALDH1A1 (0.49) MEN1KMT2ATSHRLMNAPOLB
SCHEMBL25389023 0.76 SSTR4 (0.33) SSTR4RIPK1BACE1L3MBTL1
SCHEMBL442484 0.76 LMNA (0.40) GAAKAT6ALMNAPOLBHTT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MEN1 667/4885KMT2A 751/4885SSTR4 432/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MEN1 667/4885KMT2A 751/4885SSTR4 432/4885

“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.