SCHEMBL5799563

SCHEMBL5799563

O=C(O)C1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.58
PPARG P37231 1/20 0.50
ATM Q13315 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP2C19 P33261 1/20 0.47
PDK2 Q15119 1/20 0.47
NPY5R Q15761 1/20 0.46
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13420777 0.91 NOTUM (0.72) NOTUM
SCHEMBL17026816 0.84 NOTUM (0.54) NOTUMATMTRPV1
SCHEMBL1573274 0.83 NOTUM (0.83) NOTUM
SCHEMBL3449455 0.82 NOTUM (0.60) NOTUMKDM4EHSD17B10
SCHEMBL14321700 0.82 PDK2 (0.51) NOTUMTRPV1PDK2NPY5R
SCHEMBL23380315 0.82 MAPT (0.53) NOTUMTRPV1KDM4EPDK2NPY5R
SCHEMBL6313563 0.82 NOTUM (0.56) NOTUMKDM4ECYP2C19PDK2
SCHEMBL1222301 0.81 NOTUM (0.79) NOTUMKDM4ECYP2C19
SCHEMBL5799166 0.81 NOTUM (0.58) NOTUMTRPV1KDM4ECYP2C19PDK2
SCHEMBL5800964 0.81 NOTUM (0.83) NOTUMTRPV1KDM4EUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2023177700-A2 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2023-09-21 WO disclosed
CN-103748093-B Imidazopyridyl-the aminopyridine compounds being replaced ARQULE, INC. (US) 2016-06-01 CN disclosed
EP-2723741-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2016-04-27 EP disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
EP-2723741-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2014-04-30 EP disclosed
CN-103748093-A Substituted imidazopyridinyl-aminopyridine compounds ARQULE INC 2014-04-23 CN disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 US disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 US disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 US disclosed
US-8609688-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-12-17 US disclosed
WO-2012177844-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE, INC. (US) 2012-12-27 WO disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 NOTUM 3885/4885PPARG 813/4885ATM 1305/4885
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 NOTUM 3885/4885PPARG 813/4885ATM 1305/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 NOTUM 3548/4885PPARG 1149/4885ATM 4814/4885

“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.