SCHEMBL969366

SCHEMBL969366

Cn1c2c(c3ccccc31)CCN(C(=O)O)C2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ENPP2 Q13822 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC8 Q9BY41 2/20 0.47

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
SCHEMBL28473909 0.89 CYP1A2 (0.62) HTR5ACYP1A2CYP2D6PTGDR2HDAC6
SCHEMBL6336082 0.88 CYP2C9 (0.58) HTR5APTGDR2
SCHEMBL969755 0.82 HDAC6 (0.52) HTR5ACYP1A2CYP2D6HTR2AHTR2C
SCHEMBL969469 0.82 ENPP2 (0.44) KDM4EENPP2PTGDR2
SCHEMBL6333416 0.81 HDAC1 (0.66) HTR5AALOX15HSD17B10ENPP2PTGDR2
SCHEMBL3476808 0.81 BAZ2B (0.53) HTR5AHDAC6
SCHEMBL3475264 0.81 BAZ2B (0.44) HTR5AENPP2HDAC6
SCHEMBL5373029 0.80 ENPP2 (0.53) KDM4EENPP2PTGDR2HDAC6HDAC10
SCHEMBL8803935 0.79 CYP1A2 (0.73) HTR5ACYP1A2CYP2D6HTR2AHTR2C
SCHEMBL6335173 0.78 F10 (0.51) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP claimed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US claimed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP claimed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
EP-2162451-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2010-03-17 EP disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 WO disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 HTR5A 1270/4885CYP1A2 62/4885CYP2D6 49/4885
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HTR5A 77/4885CYP1A2 1170/4885CYP2D6 2329/4885

“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.