SCHEMBL4188323

SCHEMBL4188323

CCN(CC1CCCC1)c1nc2ccccc2cc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
BCHE P06276 4/20 0.38
ACHE P22303 1/20 0.38
FFAR2 O15552 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TLR8 Q9NR97 1/20 0.34
ACP1 P24666 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.34
MYC P01106 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3CG P48736 1/20 0.34
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4509933 0.86 CRHR1 (0.45) MEN1KMT2ALMNANPSR1
SCHEMBL4345816 0.84 TERT (0.36) TRPV1BCHEACHEFFAR2ALDH1A1
SCHEMBL19189688 0.84 ALDH1A1 (0.40) TRPV1BCHEFFAR2MEN1KMT2A
SCHEMBL11947609 0.83 L3MBTL1 (0.40) BACE1MEN1KMT2AALDH1A1HPGD
SCHEMBL4346798 0.83 L3MBTL1 (0.40) BACE1MEN1KMT2AALDH1A1HPGD
SCHEMBL4346805 0.83 L3MBTL1 (0.40) BACE1MEN1KMT2AALDH1A1HPGD
SCHEMBL4194838 0.82 CRHR1 (0.32)
SCHEMBL27794965 0.81 CRHR1 (0.37) BACE1MEN1KMT2AALDH1A1HTT
SCHEMBL2393935 0.80 ALDH1A1 (0.45) BACE1TRPV1FFAR2MEN1KMT2A
SCHEMBL4190187 0.79 CSF1R (0.31) BACE1FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622242-B Bicyclic derivatives as CETP inhibitors NOVARTIS AG 2013-07-17 CN disclosed
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
CN-101622242-A Bicyclic derivatives as CETP inhibitors NOVARTIS AG 2010-01-06 CN disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 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-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 BACE1 317/4885TRPV1 2732/4885BCHE 705/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 BACE1 317/4885TRPV1 2732/4885BCHE 705/4885

“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.