SCHEMBL1630838

SCHEMBL1630838

CC(C)(C)[Si](OCc1cncc(F)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP2C9 P11712 1/20 0.33
NAMPT P43490 1/20 0.33
LPL P06858 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
GRIN1 Q05586 6/20 0.32
GRIN2B Q13224 6/20 0.32
SMYD2 Q9NRG4 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP3A4 P08684 1/20 0.31
IDO1 P14902 1/20 0.30
AGXT P21549 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL3932476 0.83 TACR1 (0.43) SMYD2
SCHEMBL1853659 0.80 AKR1B1 (0.34) CYP3A4IDO1
SCHEMBL31385508 0.79 MAPK1 (0.33) CYP11B1CYP11B2
SCHEMBL1314001 0.78 AGXT (0.42) SMYD2CYP3A4IDO1AGXT
SCHEMBL14449078 0.78 HTR1A (0.43) CYP2C9CYP3A4
SCHEMBL501339 0.78 TACR1 (0.32) SMYD2CYP3A4
SCHEMBL3935879 0.76 ESR1 (0.33)
SCHEMBL29203398 0.74 ACSS2 (0.35) SMYD2
SCHEMBL30240876 0.74 ACSS2 (0.35) SMYD2
SCHEMBL31160327 0.74 TOP2A (0.43) NAMPTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 US disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS CYP11B1 29/4885CYP11B2 36/4885CYP2C9 1465/4885

“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.