SCHEMBL4080211

SCHEMBL4080211

CN1CCN(C)C(COc2ccc3cc(-c4nn(C5CCCCO5)c5ccc(C#N)cc45)ccc3c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.35
HTR3A P46098 1/20 0.35
KDM1A O60341 8/20 0.35
CMKLR1 Q99788 2/20 0.35
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL4089143 0.92 CHRNB1 (0.41) SLC6A4KCNH2CHRNB1CHRNB2CHRNB4
SCHEMBL4186038 0.92 CHRNB1 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4094449 0.92 CHRNB1 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4084896 0.92 CHRNB1 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4085390 0.86 HRH3 (0.40) SLC6A2SLC6A4SLC6A3CMKLR1HRH3
SCHEMBL3950058 0.86 HRH3 (0.40) SLC6A2SLC6A4SLC6A3CMKLR1HRH3
SCHEMBL4080029 0.86 CMKLR1 (0.35) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL4046304 0.86 HRH3 (0.40) SLC6A2SLC6A4SLC6A3CMKLR1HRH3
SCHEMBL4085007 0.86 HRH3 (0.40) SLC6A2SLC6A4SLC6A3CMKLR1HRH3
SCHEMBL4082983 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 SLC6A2 4227/4885SLC6A4 2787/4885SLC6A3 1984/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 SLC6A2 4266/4885SLC6A4 2832/4885SLC6A3 1850/4885

“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.