SCHEMBL4550482

SCHEMBL4550482

CC(N)c1ccc(OCC(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ADRB2 P07550 1/20 0.39
GRM2 Q14416 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SCN4A P35499 1/20 0.38
CYP3A4 P08684 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
CSNK2A1 P68400 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
XDH P47989 1/20 0.35
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 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 SCHEMBL2715699 0.98 HTR2A (0.41) HTR2AHTR2CHTR2BADRB2GRM2
SCHEMBL4550759 0.83 AKT1 (0.41) HTR2AHTR2CHTR2BSCN4ACYP3A4
SCHEMBL4550350 0.83 SCN4A (0.44) HTR2AHTR2CHTR2BLMNASCN4A
SCHEMBL13877335 0.82 MAPT (0.45) ADRB2LMNATP53CSNK2A1NPSR1
SCHEMBL8205115 0.82 MAPT (0.45) ADRB2LMNATP53CSNK2A1NPSR1
Hydrochloric Acid SCHEMBL2714291 0.81 SCN4A (0.43) HTR2AHTR2CHTR2BLMNASCN4A
Hydrochloric Acid SCHEMBL2716784 0.81 AKT1 (0.40) HTR2AHTR2CHTR2BCYP3A4AAK1
SCHEMBL4550767 0.81 SMN1; SMN2 (0.41) HTR2ALMNAXDHALDH1A1GAA
Hydrochloric Acid SCHEMBL4225571 0.81 LMNA (0.45) ADRB2LMNACSNK2A1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2714282 0.80 SMN1; SMN2 (0.41) HTR2ALMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
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 HTR2A 523/4885HTR2C 1121/4885HTR2B 518/4885

“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.