SCHEMBL2744472

SCHEMBL2744472

Nc1ccc(N2CCCN(Cc3cccc4c3OCO4)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
FAAH O00519 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 1/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTR1A P08908 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PDE2A O00408 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRM4 P08173 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
EED O75530 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL2744541 0.79 AR (0.49) DRD2SMN1; SMN2HTR1AOPRM1OPRK1
SCHEMBL13237555 0.77 TRPV1 (0.44) FAAHKDM4E
SCHEMBL2744100 0.76 RET (0.46) OGAL3MBTL1DRD2LMNASMN1; SMN2
SCHEMBL23507392 0.76 FAAH (0.56) FAAHL3MBTL1DRD2DRD1LMNA
SCHEMBL2744864 0.76 HRH3 (0.60) L3MBTL1OPRM1OPRK1ALDH1A1GRIN2D
SCHEMBL2744469 0.75 FAAH (0.45) FAAHL3MBTL1DRD2DRD1LMNA
SCHEMBL2743773 0.75 NCF1 (0.51) DRD2LMNASMN1; SMN2OPRM1OPRK1
SCHEMBL2744489 0.75 MAPT (0.48) DRD2LMNAHTR1AOPRM1OPRK1
SCHEMBL2744937 0.75 ALDH1A1 (0.49) L3MBTL1DRD2SMN1; SMN2HTR1AOPRM1
SCHEMBL2744056 0.74 EPHX2 (0.49) DRD2PDE2AOPRM1OPRK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO claimed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2015-01-22 US disclosed
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS DORSCH MARION (US) 2014-07-17 US disclosed
US-8778927-B2 Smoothened antagonism for the treatment of hedgehog pathway-related disorders NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8507471-B2 Biphenylcarboxamide derivatives as hedgehod pathway modulators IRM LLC (BM) 2013-08-13 US disclosed
WO-2010037715-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2010-04-08 WO disclosed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US disclosed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 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 (6 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-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS OGA 2209/4885FAAH 4058/4885L3MBTL1 2102/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR OGA 3746/4885FAAH 4453/4885L3MBTL1 181/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 OGA 1390/4885FAAH 843/4885L3MBTL1 2519/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO OGA 1111/4885FAAH 4598/4885L3MBTL1 2300/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO OGA 1111/4885FAAH 4598/4885L3MBTL1 2300/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO OGA 3422/4885FAAH 3036/4885L3MBTL1 2227/4885

“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.