SCHEMBL4083905

SCHEMBL4083905

CC1CCC(C)N1CCOc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.44
HRH2 P25021 6/20 0.44
HRH1 P35367 6/20 0.44
ESR1 P03372 1/20 0.36
CMKLR1 Q99788 2/20 0.36
ATR Q13535 1/20 0.35
SCARB1 Q8WTV0 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD4 P21917 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL4079425 0.98 HRH3 (0.47) HRH3HRH2HRH1ESR1CMKLR1
SCHEMBL4095624 0.96 HRH3 (0.45) HRH3HRH2HRH1ESR1CMKLR1
SCHEMBL4095621 0.96 HRH3 (0.45) HRH3HRH2HRH1ESR1CMKLR1
SCHEMBL4085020 0.94 HRH3 (0.52) HRH3HRH2HRH1SCARB1SLC6A2
SCHEMBL4085021 0.94 HRH3 (0.52) HRH3HRH2HRH1SCARB1SLC6A2
SCHEMBL4093969 0.93 HRH3 (0.51) HRH3HRH2HRH1SCARB1SLC6A2
SCHEMBL4093964 0.93 HRH3 (0.51) HRH3HRH2HRH1SCARB1SLC6A2
SCHEMBL4079707 0.90 HRH3 (0.49) HRH3HRH2HRH1ESR1
SCHEMBL4091084 0.89 TBK1 (0.41) HRH3HRH2HRH1ESR1
SCHEMBL4083874 0.88 SCN7A (0.42) HRH3HRH2HRH1ESR1

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 HRH3 2504/4885HRH2 3624/4885HRH1 3031/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885HRH2 3827/4885HRH1 3325/4885

“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.