SCHEMBL2847618

SCHEMBL2847618

CC(C)[Si](Oc1cccc(F)c1F)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
TRPA1 O75762 1/20 0.38
HTR1A P08908 3/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
GRM2 Q14416 2/20 0.34
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
CTSA P10619 2/20 0.32
DYRK1A Q13627 1/20 0.32
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL17076873 0.75 RPS6KA2 (0.32)
SCHEMBL19448956 0.75
SCHEMBL11916618 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TRPA1HTR1A
SCHEMBL14784699 0.73 MEN1 (0.43) TRPA1HPGD
SCHEMBL3440636 0.72 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3TRPA1HTR1A
SCHEMBL7044318 0.72
SCHEMBL23824909 0.71 HTR1A (0.42) SLC6A2SLC6A4SLC6A3TRPA1HTR1A
SCHEMBL7766001 0.71 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TRPA1HTR1A
SCHEMBL7044220 0.70
SCHEMBL29387155 0.70 CA1 (0.50) SLC6A2SLC6A4SLC6A3TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A SLC6A2 3866/4885SLC6A4 3136/4885SLC6A3 2878/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A SLC6A2 3873/4885SLC6A4 3833/4885SLC6A3 3317/4885

“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.