SCHEMBL902871

SCHEMBL902871

CC(C)(C)OC(=O)N1CC=C(c2cccc(Br)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.56
NAMPT P43490 1/20 0.55
GRM1 Q13255 11/20 0.51
GRM5 P41594 11/20 0.51
HTR6 P50406 1/20 0.47
SOS1 Q07889 1/20 0.46
CYP11B2 P19099 1/20 0.46
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL30014227 1.00 PDK4 (0.56) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL7831576 0.88 PDK4 (0.58) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL22658966 0.88 PDK4 (0.47) PDK4NAMPTGRM1GRM5
SCHEMBL29407780 0.88 PDK4 (0.47) PDK4NAMPTGRM1GRM5
SCHEMBL1364792 0.87 PDK4 (0.57) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL2811392 0.87 PDK4 (0.60) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL29914645 0.87 PDK4 (0.57) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL578028 0.86 NAMPT (0.60) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL25378040 0.86 PDK4 (0.48) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL30582019 0.86 PDK4 (0.48) PDK4NAMPTGRM1GRM5HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368263-B Synthesis and pharmaceutical application of cinnamic acid amide derivative 南开大学 2024-05-17 CN disclosed
CN-115368263-A Synthesis of cinnamic acid amide derivative and pharmaceutical application thereof 南开大学 2022-11-22 CN disclosed
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US 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-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE PDK4 362/4885NAMPT 3894/4885GRM1 3064/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE PDK4 299/4885NAMPT 3783/4885GRM1 3588/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE PDK4 299/4885NAMPT 3783/4885GRM1 3588/4885

“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.