SCHEMBL5175249

SCHEMBL5175249

CC(C)(C)c1ccc(CNCC(F)c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.49
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
KCNH2 Q12809 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
BCHE P06276 3/20 0.43
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
GHSR Q92847 1/20 0.41
DNM1 Q05193 1/20 0.41
CA1 P00915 1/20 0.40

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
SCHEMBL5175449 0.84 MEN1 (0.50) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL5176406 0.83 GAA (0.52) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL5176258 0.83 GAA (0.52) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL5176010 0.83 GAA (0.52) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL3959831 0.81 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL3244925 0.74 CA1 (0.62) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL5178124 0.74 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3569734 0.74 CNR1 (0.52) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL17660268 0.73 ANPEP (0.58) ANPEPERAP2BCHEOPRK1DNM1
SCHEMBL3700658 0.72 GAA (0.61) MEN1KMT2ACYP2C19GAAKCNH2

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 MEN1 2604/4885KMT2A 3176/4885CYP1A2 156/4885

“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.