SCHEMBL3584113

SCHEMBL3584113

O=C(c1c(F)cc(F)cc1F)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.48
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.47
PARP1 P09874 1/20 0.45
SPR P35270 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
TDO2 P48775 1/20 0.42
REN P00797 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL646157 0.83 LMNA (0.61) HRH4LMNASPR
SCHEMBL937500 0.82 LMNA (0.71) HRH4SIGMAR1LMNARXFP1REN
SCHEMBL20594360 0.81 LMNA (0.65) LMNASPR
SCHEMBL2089753 0.79 LMNA (0.47) HRH4LMNASPR
Hydrochloric Acid SCHEMBL2849329 0.77 KDM4E (0.58) HRH4SIGMAR1PARP1HSP90AA1RXFP1
SCHEMBL6141643 0.77 HRH4 (0.78) HRH4HRH3
SCHEMBL226167 0.75 SIGMAR1 (0.56) HRH4SIGMAR1HSP90AA1RXFP1TDO2
SCHEMBL3087941 0.75 PARP1 (0.63) HRH4SIGMAR1PARP1HSP90AA1RXFP1
SCHEMBL31220894 0.75 PARP1 (0.63) HRH4SIGMAR1PARP1HSP90AA1RXFP1
Hydrochloric Acid SCHEMBL224420 0.74 SIGMAR1 (0.54) HRH4SIGMAR1HSP90AA1RXFP1TDO2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 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 (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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 HRH4 2/4885SIGMAR1 487/4885LMNA 4344/4885

“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.