SCHEMBL998116

SCHEMBL998116

C[Si](C)(C)c1cccc(C2NCCc3c2[nH]c2ccccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.70
DRD2 P14416 1/20 0.70
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTR2A P28223 9/20 0.55
HTR2C P28335 8/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PRMT5 O14744 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPKAPK2 P49137 1/20 0.51

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
SCHEMBL30274420 0.85 HTR2A (0.74) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL274149 0.82 HTR7 (1.00) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL10085949 0.82 HTR7 (0.73) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL3568230 0.82 HTR7 (1.00) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL997957 0.82 HTR7 (0.73) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL13748205 0.80 HTR7 (0.70) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL28325825 0.79 HTR7 (0.68) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL30274351 0.78 HTR2A (0.74) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL3709723 0.78 HTR7 (0.78) HTR7DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL15759994 0.77 PRMT5 (0.68) HTR7DRD2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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 (1 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS HTR7 2598/4885DRD2 2644/4885CYP3A4 709/4885

“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.