SCHEMBL5178127

SCHEMBL5178127

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.46
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL5176254 0.81 CYP1A2 (0.51) CYP1A2CYP2C19MEN1KMT2APOLB
SCHEMBL5176625 0.81 CYP1A2 (0.51) CYP1A2CYP2C19MEN1KMT2APOLB
SCHEMBL8082304 0.76 SLC6A4 (0.59) CYP1A2CYP2C19MEN1KMT2ASLC6A2
SCHEMBL16892922 0.74 EPHX2 (0.49) EPHX2NR1H4EPHX1ESRRGALDH1A1
SCHEMBL5177341 0.74 EPHX2 (0.43) EPHX2NR1H4EPHX1ESRRGALDH1A1
SCHEMBL4457816 0.73 CYP2C19 (0.46) CYP1A2CYP2C19MEN1KMT2ASLC6A2
SCHEMBL19198124 0.72 ESR1 (0.57) CYP1A2CYP2C19MEN1KMT2APOLB
SCHEMBL11576012 0.70 SLC6A4 (0.52) CYP1A2CYP2C19MEN1KMT2APOLB
SCHEMBL28294865 0.70 EPHX2 (0.45) SMN1; SMN2EPHX2NR1H4EPHX1ESRRG
SCHEMBL3942501 0.70 EPHX1 (0.50) CYP1A2CYP2C19MEN1KMT2APOLB

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
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US 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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP CYP1A2 156/4885CYP2C19 121/4885MEN1 2604/4885

“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.