SCHEMBL4550815

SCHEMBL4550815

CN1CCN(c2nc(OCC(F)(F)F)ccc2CN)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.41
NCF1 P14598 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR2 P34972 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
Hydrochloric Acid SCHEMBL2716354 0.99 HRH4 (0.40) HRH4NCF1LMNATSHRCYP1A2
SCHEMBL2715343 0.88 HRH4 (0.41) HRH4LMNATSHRCYP1A2CYP3A4
SCHEMBL2714116 0.87 KDM4E (0.40) LMNATSHRKCNH2SCN9AMEN1
SCHEMBL4550809 0.85 LMNA (0.44) LMNATSHRCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2716499 0.84 LMNA (0.43) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2714114 0.79 CYP1A2 (0.40) HRH4LMNATSHRCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28393639 0.79 HRH4 (0.40) HRH4LMNATSHRCYP1A2CYP3A4
SCHEMBL18258942 0.78 HRH4 (0.39) HRH4LMNATSHRCYP1A2CYP3A4
SCHEMBL15350791 0.78 L3MBTL1 (0.44) HRH4LMNATSHRKCNH2SCN5A
SCHEMBL2713858 0.76 KCNH2 (0.41) HRH4KCNH2SCN5ASCN9AMEN1

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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A HRH4 849/4885NCF1 2200/4885LMNA 1841/4885

“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.