SCHEMBL4550809

SCHEMBL4550809

NCc1ccc(OCC(F)(F)F)nc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.38
KIF18A Q8NI77 1/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PDE4B Q07343 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PIK3CA P42336 3/20 0.35
HSD17B10 Q99714 2/20 0.34

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 SCHEMBL2716499 0.99 LMNA (0.43) LMNAALDH1A1NPSR1GLAKIF18A
SCHEMBL2714395 0.88 LMNA (0.42) LMNAALDH1A1NPSR1GLAKIF18A
SCHEMBL2714116 0.87 KDM4E (0.40) LMNAALDH1A1KDM4ETSHRPOLB
SCHEMBL4550815 0.85 HRH4 (0.41) LMNATSHRPOLBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2716354 0.84 HRH4 (0.40) LMNATSHRPOLBCYP1A2CYP3A4
SCHEMBL12167634 0.80 TRPV1 (0.46) NPSR1GLAKDM4ETSHRPOLB
SCHEMBL27931858 0.80 TRPM8 (0.47) LMNAALDH1A1NPSR1KDM4ETSHR
SCHEMBL2716444 0.79 RPS6KA3 (0.42) LMNAALDH1A1NPSR1GLATSHR
Hydrochloric Acid SCHEMBL28395499 0.78 LMNA (0.40) LMNAALDH1A1NPSR1GLAKIF18A
SCHEMBL15350570 0.78 KIF18A (0.45) LMNAALDH1A1NPSR1GLAKIF18A

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 LMNA 1841/4885ALDH1A1 1358/4885NPSR1 391/4885

“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.