SCHEMBL4037480

SCHEMBL4037480

CC(C)(C)c1ccc(CNCCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ADRB2 P07550 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 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
SCHEMBL17110149 0.85 SCN8A (0.49) ADRB2KMT2AMEN1CYP1A2CYP2C19
SCHEMBL3571580 0.84 CA1 (0.50) CA1CA2KMT2AMEN1CYP1A2
SCHEMBL2854483 0.82 CHRM2 (0.55) CA1CA2ADRB2CYP1A2CYP2C19
SCHEMBL5177135 0.82 CA1 (0.46) CA1CA2KMT2AMEN1CYP1A2
SCHEMBL20902780 0.80 CA1 (0.71) CA1CA2KMT2AGAACNR1
SCHEMBL3244925 0.80 CA1 (0.62) CA1CA2KMT2AMEN1CYP1A2
SCHEMBL3571060 0.79 HDAC1 (0.62) CA1CA2CYP1A2CYP2C19GAA
SCHEMBL3243483 0.79 NR1I3 (0.56) CA1CA2CYP1A2CYP2C19CNR1
SCHEMBL25381118 0.78 CA1 (0.58) CA1CA2KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL3950184 0.78 CYP1A2 (0.58) CA1CA2CYP1A2CYP2C19CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
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
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
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 CA1 4376/4885CA2 2610/4885ADRB2 259/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP CA1 4644/4885CA2 4559/4885ADRB2 266/4885

“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.