Sugi Predict

Sugi Predict / Compounds / SCHEMBL1869066

SCHEMBL1869066

SCHEMBL1869066

C[SiH](C)OC(C1CN(Cc2ccccc2)CCC1O[Si](C)(C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.36
▸ THRB P10828 1/20 0.36
▸ BCHE P06276 3/20 0.35
▸ BACE1 P56817 3/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3778058 0.81 ALDH1A1 (0.43) ACHEBCHEBACE1ALDH1A1
SCHEMBL15710627 0.78 ACHE (0.48) ACHEBCHEBACE1DRD2DRD4
SCHEMBL15710626 0.78 ACHE (0.48) ACHEBCHEBACE1DRD2DRD4
SCHEMBL30994620 0.76 ACHE (0.43) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL24759936 0.76 GBA1 (0.45) ACHEBCHEBACE1DRD2DRD4
SCHEMBL24760182 0.76 GBA1 (0.45) ACHEBCHEBACE1DRD2DRD4
SCHEMBL3620125 0.75 S1PR5 (0.43) ACHEBCHECYP1A2CYP3A4CYP2D6
SCHEMBL29198351 0.75 S1PR5 (0.43) ACHEBCHECYP1A2CYP3A4CYP2D6
SCHEMBL3620120 0.75 S1PR5 (0.43) ACHEBCHECYP1A2CYP3A4CYP2D6
SCHEMBL1869069 0.75 ACHE (0.41) ACHEBCHEBACE1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 — — US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 — — US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 — — US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 — — US disclosed
EP-1643998-B1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA HOFFMANN LA ROCHE (CH) 2007-08-29 — — EP disclosed
EP-1643998-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP disclosed
US-20050090533-A1 Dual NK1/NK3 receptor antagonists F. HOFMANN-LA ROCHE AG (CH) 2005-04-28 — — US disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 — — 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 (3 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-20050090533-A1 Dual NK1/NK3 receptor antagonists TACR2, TAC3, TACR1 ACHE 3263/4885THRB 1829/4885BCHE 3204/4885
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 ACHE 3263/4885THRB 1829/4885BCHE 3204/4885
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 ACHE 3263/4885THRB 1829/4885BCHE 3204/4885

“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.