SCHEMBL4550381

SCHEMBL4550381

COc1cc(CN)cnc1OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.40
HTR2C P28335 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2B P41595 2/20 0.37
ATM Q13315 1/20 0.36
CYP17A1 P05093 1/20 0.36
PTGS2 P35354 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 SCHEMBL2715605 0.98 HTR2A (0.41) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL18266255 0.90 HTR2A (0.39) HTR2AHTR2CKDM4EHTR2BATM
SCHEMBL18266168 0.90 HTR2A (0.39) HTR2AHTR2CKDM4EHTR2BATM
SCHEMBL4550747 0.87 AOC3 (0.39) HTR2AHTR2CKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL2716209 0.85 AOC3 (0.41) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL2713363 0.85 NPC1 (0.41) HTR2AKDM4EALDH1A1MAPTMEN1
SCHEMBL2714075 0.85 CYP17A1 (0.36) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL4550308 0.83 LOXL2 (0.38) KDM4EALDH1A1MAPTMEN1USP2
SCHEMBL2255494 0.82 HTR2A (0.44) HTR2AHTR2CKDM4EALDH1A1MEN1
SCHEMBL4550332 0.81 LOXL2 (0.37) KDM4EALDH1A1MAPTMEN1USP2

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 1121/4885KDM4E 1168/4885

“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.