SCHEMBL4935508

SCHEMBL4935508

c1cc2occc2c(N2CCOCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.69
DRD2 P14416 7/20 0.48
HTR2A P28223 7/20 0.48
DRD3 P35462 7/20 0.48
PTK2 Q05397 1/20 0.46
LRRK2 Q5S007 1/20 0.46
PHGDH O43175 1/20 0.46
JAK3 P52333 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL15971536 0.86 HTR2C (0.73) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL15971496 0.85 HTR2C (0.71) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL28038474 0.83 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL3679735 0.83 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL1601087 0.83 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL15971545 0.83 HTR2C (0.64) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL30297584 0.82 HTR2C (1.00) HTR2C
SCHEMBL1026755 0.82 HTR2C (1.00) HTR2C
SCHEMBL3062978 0.81 AKR1C3 (0.53) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL15971543 0.78 HTR2C (0.62) HTR2CDRD2HTR2ADRD3PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO claimed
US-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
US-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
US-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
EP-3092242-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-11-16 EP disclosed
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-06 US disclosed
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-06 US disclosed
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-06 US disclosed
EP-2958920-A1 SUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AS MKNK1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
WO-2015104254-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-16 WO disclosed
WO-2014128093-A1 SUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AS MKNK1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO disclosed
WO-2014128093-A1 SUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AS MKNK1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 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-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS VEGFA, PGF, FLT1 HTR2C 1926/4885DRD2 2688/4885HTR2A 1908/4885
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES CCNI, F12, MKI67 HTR2C 2049/4885DRD2 1422/4885HTR2A 1849/4885

“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.