SCHEMBL2465329

SCHEMBL2465329

O=C(O)N1CCN(c2nc3ccc(C(F)(F)F)c(F)c3c3ncnn23)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
HSD11B1 P28845 1/20 0.33
CNR2 P34972 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A7 Q99884 2/20 0.31
MGLL Q99685 1/20 0.31
SCD O00767 1/20 0.31
PKM P14618 1/20 0.31
KRAS P01116 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL2468305 0.88 TSHR (0.33) TRPV1LMNANPSR1MGLL
SCHEMBL2464899 0.76 HRH4 (0.46)
SCHEMBL2467717 0.75 MAP4K4 (0.44) CNR2LMNAMAPT
SCHEMBL2463455 0.73 MBOAT4 (0.34) KDM4E
SCHEMBL12225096 0.70 HRH4 (0.46) GAAKDM4ELMNAMAPTKMT2A
SCHEMBL2533033 0.70 SOS1 (0.35)
SCHEMBL462645 0.69 HRH4 (0.42) CNR2KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL2466905 0.69 SOS1 (0.35)
Hydrochloric Acid SCHEMBL439832 0.68 HRH4 (0.41) CNR2KDM4EMAPTKMT2A
SCHEMBL12225078 0.68 SOS1 (0.41)

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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 (1 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MTOR 1516/4885TRPV1 102/4885HSD11B1 3421/4885

“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.