SCHEMBL3273907

SCHEMBL3273907

CC(C)(C)c1ccc(CC(C(N)=O)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
GCGR P47871 4/20 0.42
ADCY6 O43306 2/20 0.42
ADCY3 O60266 2/20 0.42
ADCY9 O60503 2/20 0.42
ADCY5 O95622 2/20 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
Hydrochloric Acid SCHEMBL4026086 0.99 EPHX1 (0.49) EPHX1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL5176814 0.89 EPHX1 (0.50) EPHX1ESR1ESR2TP53TSHR
SCHEMBL5177570 0.87 EPHX1 (0.45) EPHX1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4027743 0.87 ESR1 (0.58) EPHX1ESR1ESR2LMNA
SCHEMBL3271868 0.87 EPHX1 (0.51) EPHX1NPC1MAPTRAB9AESR1
SCHEMBL3942501 0.86 EPHX1 (0.50) EPHX1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4028048 0.85 EPHX1 (0.43) EPHX1
SCHEMBL5178070 0.84 EPHX1 (0.49) EPHX1TP53TSHR
SCHEMBL4152962 0.83 MEN1 (0.51) EPHX1MEN1KMT2AL3MBTL1NPC1
SCHEMBL5175289 0.83 EPHX1 (0.50) EPHX1TP53TSHRGCGRADCY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691876-B2 Heterobicyclic amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-04-06 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
EP-1984364-A1 HETEROBICYCLIC AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
WO-2007090751-A1 HETEROBICYCLIC AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO claimed
US-7691876-B2 Heterobicyclic amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-04-06 US disclosed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
EP-1984364-A1 HETEROBICYCLIC AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090751-A1 HETEROBICYCLIC AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (2 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP EPHX1 2381/4885SMN1; SMN2 4629/4885MEN1 2604/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP EPHX1 1260/4885SMN1; SMN2 4033/4885MEN1 1778/4885

“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.