SCHEMBL3273909

SCHEMBL3273909

CC(C)(C)c1ccc(CNCCc2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
LMNA P02545 3/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
CYP2D6 P10635 4/20 0.53
CYP2C19 P33261 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 2/20 0.53
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 3/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MCHR1 Q99705 1/20 0.49
MPO P05164 1/20 0.49
HTT P42858 2/20 0.48

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 SCHEMBL4026088 0.98 L3MBTL1 (0.66) L3MBTL1CA1CA2LMNAKDM4E
SCHEMBL20902780 0.91 CA1 (0.71) L3MBTL1CA1CA2CA12EPHX2
SCHEMBL3943505 0.90 CHRM2 (0.57) L3MBTL1CA1CA2LMNAKDM4E
SCHEMBL4029852 0.88 LMNA (0.62) L3MBTL1CA1CA2LMNAALDH1A1
SCHEMBL5177574 0.87 CA1 (0.56) L3MBTL1CA1CA2LMNAKDM4E
SCHEMBL5176818 0.87 CA1 (0.62) L3MBTL1CA1CA2ALDH1A1TAAR1
SCHEMBL3941164 0.85 L3MBTL1 (0.65) L3MBTL1CA1CA2LMNAKDM4E
SCHEMBL3244363 0.85 CA1 (0.64) L3MBTL1CA1CA2LMNACA12
SCHEMBL3240039 0.85 GAA (0.67) CA1CA2LMNAKDM4EALDH1A1
SCHEMBL3244925 0.83 CA1 (0.62) L3MBTL1CA1CA2LMNAKDM4E

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 24 patents — showing the first 20. 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
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101415707-B Heterobicyclic amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2011-12-14 CN disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
US-7691876-B2 Heterobicyclic amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-04-06 US disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US 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
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN 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 (3 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 L3MBTL1 2758/4885CA1 4376/4885CA2 2610/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC L3MBTL1 4869/4885CA1 1280/4885CA2 411/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP L3MBTL1 4807/4885CA1 4644/4885CA2 4559/4885

“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.