SCHEMBL17889261

SCHEMBL17889261

CC(C)(C)[Si](C)(C)OCCn1ccnc1/C=C/C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.38
TBXAS1 P24557 6/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
DGAT1 O75907 1/20 0.32
CYP1A2 P05177 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 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
SCHEMBL17889263 1.00 DUT (0.38) DUTTBXAS1MEN1KMT2ADGAT1
SCHEMBL17897627 0.86 NPC1 (0.35) DUTDGAT1LMNACYP3A4
SCHEMBL14901265 0.82 DUT (0.42) DUTMEN1KMT2ADGAT1
SCHEMBL19810012 0.82 TBXAS1 (0.39) TBXAS1MEN1KMT2ACYP1A2USP2
SCHEMBL19810013 0.82 TBXAS1 (0.39) TBXAS1MEN1KMT2ACYP1A2USP2
SCHEMBL21517829 0.80 DUT (0.36) DUTTBXAS1DGAT1SMN1; SMN2
SCHEMBL17544453 0.76 DUT (0.41) DUTMEN1KMT2ADGAT1CYP1A2
SCHEMBL3939670 0.75 TBXAS1 (0.34) TBXAS1DGAT1
SCHEMBL4066536 0.74 DUT (0.52) DUTKMT2A
SCHEMBL15758840 0.74 SMN1; SMN2 (0.39) TBXAS1MEN1KMT2ACYP1A2USP2

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
EP-3511003-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2021-03-03 EP disclosed
EP-3511002-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-08-19 EP disclosed
EP-3050877-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
EP-3511002-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed
EP-3511003-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed
US-9505740-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. 2016-11-29 US disclosed
EP-3050877-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2016-08-03 EP disclosed
US-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2016-07-07 US 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-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, OPRL1, CNR1 DUT 2317/4885TBXAS1 1712/4885MEN1 1784/4885

“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.